NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3492 0.0000 0.0000 62.3716 32.0877 175.5421 3 R 3.8877 8.5196 124.5197 55.0829 30.6441 174.6276 4 A 4.5415 8.0533 128.8715 49.6120 18.8474 175.2281 5 K 4.3108 7.9706 121.6147 56.7468 33.7606 179.0000 6 T 4.0543 8.4699 115.1196 64.5878 69.9083 177.6499 7 G 3.8142 7.1530 105.3440 46.6614 0.0000 174.6762 8 V 3.4389 8.2844 125.5861 61.0876 31.1110 181.2105 9 V 2.7220 7.6306 115.0884 62.8740 35.5463 175.7337 10 R 3.8411 7.5383 122.0236 59.8501 30.3411 178.2230 11 R 3.8008 8.0265 117.4173 59.7231 29.7509 178.2081 12 R 3.9090 7.9582 115.3959 59.3342 30.4259 178.4629 13 K 4.0243 8.5341 118.2412 60.0322 32.1315 178.5751 14 H 4.0182 8.7322 116.6666 59.0454 28.8603 177.6848 15 K 4.2097 8.4961 119.3241 58.5368 32.1651 179.1817 16 K 3.9099 7.7566 120.1660 59.7791 32.2512 178.8175 17 I 3.8043 7.6231 119.5255 64.3358 37.0671 178.2618 18 L 3.9217 7.9000 119.8393 57.7712 40.9079 179.5913 19 K 3.9457 8.0050 119.3919 59.2114 31.9331 178.3751 20 L 4.1175 7.5074 117.0365 56.0184 42.0440 177.7992 21 A 3.7547 7.5590 120.1683 50.6959 19.8374 175.2771 22 K 3.5189 6.8561 115.8830 60.1557 31.7950 175.3893 23 G 3.5041 8.5196 113.4373 45.3509 0.0000 172.7063 24 Y 4.8325 7.3751 118.3174 56.8292 40.2130 176.3795 25 W 4.3427 9.5396 133.0172 58.7243 30.8035 179.8659 26 G 4.3396 9.7714 106.3976 45.0767 0.0000 175.5544 27 L 4.3438 8.7360 123.5991 55.3414 41.9092 178.5191 28 R 4.0507 7.9380 119.8073 59.0886 30.1643 177.6427 29 S 5.0627 7.8640 110.6910 57.7716 63.6267 174.8480 30 K 4.4694 8.5993 120.2898 56.3779 35.5599 177.4451 31 S 4.8250 7.9708 116.5273 56.9337 65.4147 174.7810 *32 F 3.9438 8.7694 128.2662 62.9095 37.5713 174.4657 33 R 3.9725 8.1839 116.7402 60.1964 29.6616 178.8633 34 K 4.0444 8.5364 119.9474 59.6196 32.4286 178.7111 35 A 4.5929 8.3460 123.5886 53.5079 18.2173 179.8135 36 R 3.3789 8.3695 115.6879 58.9762 30.4883 178.3618 37 E 3.9114 7.7375 118.2413 59.9001 29.5241 179.4819 38 T 3.7752 8.0637 115.6631 66.8515 68.3542 176.2838 39 L 4.0389 7.9884 118.8956 58.7515 41.8013 179.0329 40 F 4.5610 8.2424 117.5405 60.4981 38.4458 177.0075 41 A 4.0351 8.3521 120.2783 54.1185 18.4327 178.8635 42 A 4.0425 7.8713 119.4396 53.7821 18.9851 179.7402 43 G 3.7077 8.2287 104.6484 47.6937 0.0000 175.9763 44 N 4.5578 8.1586 118.2447 56.2000 38.5379 177.0625 45 Y 4.1260 8.0033 117.7696 61.0094 38.1532 177.9643 46 A 4.1553 8.2340 121.1006 54.6229 18.2718 179.1331 47 Y 4.1287 8.0647 118.4793 60.8554 39.0127 177.5260 48 A 3.8671 8.1446 121.3341 55.1065 18.3914 179.0155 49 H 4.5046 8.4005 114.6821 58.2319 28.6515 178.1269 50 R 3.9383 7.5385 119.2990 59.0462 29.8281 178.7138 51 K 4.0263 7.5656 118.3206 59.4393 32.0322 179.6058 52 R 3.8929 7.9166 118.3140 59.1681 29.9936 178.7955 53 R 3.9733 8.0691 118.6849 60.2559 29.8393 177.5867 54 K 3.8363 7.8579 117.0835 60.2840 31.8459 178.1782 55 R 4.3336 7.6121 114.7464 57.4101 29.6797 177.3244 56 D 4.4452 7.9784 121.0806 57.0314 41.2671 178.5280 57 F 3.3697 8.0607 117.9554 59.3410 38.7018 177.8855 58 R 4.4410 7.4020 118.3446 59.8078 30.0958 179.0653 59 R 3.8601 7.8037 116.8167 58.9764 29.8799 178.7010 60 L 3.7819 6.8890 118.3590 58.3565 42.5042 178.3629 61 W 4.6429 8.2582 118.7253 61.0467 28.9363 178.2002 62 I 3.4113 8.8216 116.1257 64.6285 36.6860 178.2718 63 V 3.4402 8.0326 118.3944 66.5177 31.7991 179.0382 64 R 3.9561 8.0460 117.3433 59.2081 29.8477 178.8747 65 I 3.8047 8.1628 119.8575 64.5471 37.3014 177.4804 66 N 4.5464 8.5604 116.8594 57.3437 38.5139 176.5409 67 A 4.0707 8.4332 120.7832 54.4528 18.6820 178.9516 68 A 4.2589 8.1257 119.8685 54.8529 19.4796 179.2446 69 C 4.3929 9.0130 112.4704 60.3540 29.4375 175.2431 70 R 4.9824 7.6803 121.7619 58.0234 29.8389 177.4581 71 Q 4.1809 8.3674 116.9371 57.8382 29.4398 175.8883 72 H 4.9138 7.9482 118.2420 55.0163 29.2764 175.6049 73 G 3.7116 8.2076 110.3572 45.7643 0.0000 174.7115 74 L 4.0777 8.2750 117.2108 55.5698 41.9027 177.3698 75 N 5.2339 8.1106 117.6337 51.5778 39.2838 174.3965 76 Y 4.2288 8.4573 118.5349 60.5220 38.0536 177.9717 77 S 4.0674 8.4744 114.8021 62.1662 62.9808 176.6617 78 T 3.9441 8.8720 113.4437 64.5431 68.8875 176.6240 79 F 4.2404 8.3833 124.4274 60.6422 39.4933 177.7854 80 I 3.1274 7.7272 119.2966 64.4997 36.9428 177.6096 81 H 4.0074 7.6341 118.3661 59.3754 29.2783 176.7228 82 G 3.6344 7.8883 106.9745 48.0075 0.0000 175.3416 83 L 3.9439 7.2563 121.3807 57.0088 41.4450 179.0391 84 K 3.8154 8.0806 116.8670 57.2941 32.3322 177.6308 85 K 4.1146 8.2414 119.4438 58.7474 32.3147 177.0929 86 A 4.5000 8.9230 119.1780 50.9545 18.6389 177.0076 87 G 3.9445 7.2936 104.4258 46.6485 0.0000 174.9607 88 I 4.0261 8.1064 112.4549 58.6246 36.4187 176.5053 89 E 4.0519 7.6086 117.7385 57.9473 29.8996 177.2119 90 V 3.8857 7.6205 132.1404 60.1699 34.8720 174.6488 91 D 4.1786 9.4212 113.1058 53.8774 41.3119 173.8394 92 R 3.8635 8.4238 111.6652 56.1185 28.0025 179.1736 93 K 4.0849 7.9228 119.8329 58.0467 31.4963 177.4509 94 N 2.0000 8.9228 115.9686 54.8602 38.5323 175.3798 95 L 4.6048 9.0745 115.3551 53.7117 42.5923 177.6478 96 A 5.0069 7.6925 122.5213 53.3393 17.9984 178.9433 97 D 4.3620 8.2022 117.7840 56.1354 38.8495 178.3859 98 L 4.0675 7.4240 119.2250 57.5092 41.7781 178.6801 99 A 3.3431 7.3977 119.7078 54.5309 18.0605 177.7636 100 V 3.8424 8.0948 116.0917 63.5578 32.6837 175.6902 101 R 4.0131 7.3936 120.2840 57.2448 31.1771 176.7941 102 E 3.7561 8.7652 115.2628 56.7866 27.6115 173.4318 103 P 4.4132 0.0000 0.0000 65.1798 31.2631 177.9166 104 Q 4.3276 7.9204 118.3096 58.5010 28.9411 177.6944 105 V 4.3049 7.4055 119.4270 65.4237 31.2245 176.8111 106 F 4.5462 7.8079 118.6340 58.5754 39.3385 176.4963 107 A 4.1443 9.2147 120.0565 55.1611 19.5436 179.1694 108 E 3.8854 8.0471 116.5176 59.4919 29.6525 179.4703 109 L 3.7502 7.6419 118.8382 57.5649 41.5884 179.5870 110 V 3.5005 7.0234 117.8922 65.9290 31.2801 177.4945 111 E 3.8757 7.9998 117.3355 59.9769 29.2251 179.2866 112 R 3.9894 8.8015 118.4107 59.4767 30.1393 178.9214 113 A 4.0542 7.8502 119.9109 54.7543 18.4901 179.3756 114 K 4.1131 8.1742 112.9315 57.8645 32.2674 177.5060 115 A 4.2543 7.8936 124.9016 54.6753 19.4099 180.0937 116 A 3.8116 7.2594 113.8589 54.4702 19.0847 177.9113 117 Q 4.3787 7.2432 117.2416 54.9561 27.8977 176.3122 118 G 3.7368 7.6941 110.4877 45.8902 0.0000 172.6202 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 4.35 0.00 2.19 2.16 0.00 3.73 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 8.52 3.89 0.00 1.87 1.87 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 4 A 8.05 4.54 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 5 K 7.97 4.31 0.00 1.94 1.99 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.54 7.81 6 T 8.47 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 1.21 0.00 0.00 7 G 7.15 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 0.00 0.00 0.00 8 V 8.28 3.44 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 0.96 0.00 0.00 0.93 0.00 0.00 9 V 7.63 2.72 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 0.70 0.00 0.00 0.96 0.00 0.00 10 R 7.54 3.84 0.00 1.85 1.91 0.00 3.11 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 11 R 8.03 3.80 0.00 1.87 1.91 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 12 R 7.96 3.91 0.00 2.03 1.99 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 13 K 8.53 4.02 0.00 1.99 1.88 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 14 H 8.73 4.02 0.00 3.44 3.38 0.00 5.81 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.50 4.21 0.00 1.93 2.06 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.47 7.81 16 K 7.76 3.91 0.00 2.06 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.72 7.81 17 I 7.62 3.80 1.92 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 1.76 1.52 0.80 0.00 0.00 18 L 7.90 3.92 0.00 1.82 1.68 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.00 3.95 0.00 1.81 1.90 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 20 L 7.51 4.12 0.00 1.73 1.66 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.56 3.75 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 22 K 6.86 3.52 0.00 1.77 1.76 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.50 7.81 23 G 8.52 3.50 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 0.00 24 Y 7.38 4.83 0.00 2.98 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 25 W 9.54 4.34 0.00 3.38 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 26 G 9.77 4.34 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 0.00 27 L 8.74 4.34 0.00 1.76 1.73 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.94 4.05 0.00 2.04 2.22 0.00 3.20 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 29 S 7.86 5.06 0.00 3.84 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 30 K 8.60 4.47 0.00 1.68 1.80 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.46 7.81 31 S 7.97 4.82 0.00 4.03 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 *32 F 8.77 3.94 0.00 2.30 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 0.00 0.00 0.00 0.00 33 R 8.18 3.97 0.00 1.81 1.98 0.00 3.28 0.00 0.00 3.36 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 34 K 8.54 4.04 0.00 1.89 1.91 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.63 7.81 35 A 8.35 4.59 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 36 R 8.37 3.38 0.00 1.63 1.95 0.00 2.98 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.68 0.00 37 E 7.74 3.91 0.00 1.98 2.05 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 2.36 2.64 0.00 38 T 8.06 3.78 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 0.56 0.00 0.00 39 L 7.99 4.04 0.00 1.58 1.73 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.24 4.56 0.00 3.25 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 41 A 8.35 4.04 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 42 A 7.87 4.04 1.36 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 43 G 8.23 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 44 N 8.16 4.56 0.00 2.91 3.02 0.00 0.00 7.17 7.48 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 45 Y 8.00 4.13 0.00 3.09 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 46 A 8.23 4.16 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 47 Y 8.06 4.13 0.00 3.07 3.15 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 48 A 8.14 3.87 1.36 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 49 H 8.40 4.50 0.00 3.29 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.54 3.94 0.00 1.87 1.95 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 51 K 7.57 4.03 0.00 1.71 1.72 0.00 1.43 0.00 0.00 0.99 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.12 7.81 52 R 7.92 3.89 0.00 1.98 2.09 0.00 3.31 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 53 R 8.07 3.97 0.00 2.02 2.20 0.00 3.10 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.93 0.00 54 K 7.86 3.84 0.00 1.87 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.59 7.81 55 R 7.61 4.33 0.00 1.96 2.05 0.00 3.02 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 56 D 7.98 4.45 0.00 2.91 2.52 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 0.00 0.00 0.00 0.00 57 F 8.06 3.37 0.00 2.22 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 7.40 4.44 0.00 1.86 2.14 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 59 R 7.80 3.86 0.00 1.89 1.87 0.00 3.05 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 60 L 6.89 3.78 0.00 1.21 1.34 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.26 4.64 0.00 3.86 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 62 I 8.82 3.41 1.90 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 1.71 0.86 0.15 0.00 0.00 63 V 8.03 3.44 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 0.88 0.00 0.00 0.89 0.00 0.00 64 R 8.05 3.96 0.00 2.13 1.94 0.00 3.27 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 65 I 8.16 3.80 2.45 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.30 1.61 0.00 0.00 66 N 8.56 4.55 0.00 2.86 3.04 0.00 0.00 6.93 8.68 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 67 A 8.43 4.07 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 68 A 8.13 4.26 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 69 C 9.01 4.39 0.00 2.50 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 70 R 7.68 4.98 0.00 2.18 1.97 0.00 3.13 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 71 Q 8.37 4.18 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.20 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 72 H 7.95 4.91 0.00 3.21 3.18 0.00 5.73 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 8.21 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 74 L 8.27 4.08 0.00 1.92 1.85 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.11 5.23 0.00 3.03 3.08 0.00 0.00 6.94 7.44 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 76 Y 8.46 4.23 0.00 3.43 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 77 S 8.47 4.07 0.00 4.13 4.30 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 78 T 8.87 3.94 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 1.23 0.00 0.00 79 F 8.38 4.24 0.00 3.10 3.18 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 80 I 7.73 3.13 1.52 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.09 0.73 0.00 0.00 81 H 7.63 4.01 0.00 3.21 3.44 0.00 5.80 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 7.89 3.63 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 0.00 0.00 0.00 83 L 7.26 3.94 0.00 1.50 1.48 0.51 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.08 3.82 0.00 1.57 1.73 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 85 K 8.24 4.11 0.00 1.48 1.58 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.32 7.81 86 A 8.92 4.50 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 87 G 7.29 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 88 I 8.11 4.03 1.83 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 1.41 0.59 0.91 0.00 0.00 89 E 7.61 4.05 0.00 2.05 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 2.25 2.28 0.00 90 V 7.62 3.89 2.05 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 0.71 0.00 0.00 0.92 0.00 0.00 91 D 9.42 4.18 0.00 2.80 2.56 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 92 R 8.42 3.86 0.00 1.82 1.74 0.00 3.30 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 93 K 7.92 4.08 0.00 2.11 2.16 0.00 1.60 0.00 0.00 1.88 0.00 0.00 3.28 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.69 1.66 7.81 94 N 8.92 2.00 0.00 1.44 2.09 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 95 L 9.07 4.60 0.00 1.67 1.60 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.69 5.01 1.69 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 0.00 0.00 97 D 8.20 4.36 0.00 2.92 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 98 L 7.42 4.07 0.00 1.78 1.90 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.40 3.34 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.09 3.84 2.05 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 0.87 0.00 0.00 0.93 0.00 0.00 101 R 7.39 4.01 0.00 1.85 1.85 0.00 3.42 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 102 E 8.77 3.76 0.00 2.23 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 0.00 2.30 2.24 0.00 103 P 0.00 4.41 0.00 2.33 2.34 0.00 3.70 0.00 0.00 3.97 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 7.92 4.33 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 105 V 7.41 4.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 106 F 7.81 4.55 0.00 3.25 3.21 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 0.00 0.00 0.00 107 A 9.21 4.14 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 8.05 3.89 0.00 2.03 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 2.39 2.40 0.00 109 L 7.64 3.75 0.00 1.61 1.79 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.02 3.50 2.05 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 0.91 0.00 0.00 0.39 0.00 0.00 111 E 8.00 3.88 0.00 2.09 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 2.54 2.48 0.00 112 R 8.80 3.99 0.00 1.90 2.00 0.00 3.26 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 113 A 7.85 4.05 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 0.00 114 K 8.17 4.11 0.00 1.89 1.94 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.44 7.81 115 A 7.89 4.25 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 0.00 116 A 7.26 3.81 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 0.00 117 Q 7.24 4.38 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 118 G 7.69 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.