NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2188 7.8676 121.0501 61.1360 39.7201 175.2188 3 D 4.8079 8.3378 130.1591 51.5055 41.4625 172.5221 4 V 4.0266 8.6567 112.2878 61.6837 31.8434 179.9433 *6 Q 4.2639 8.2062 120.3886 56.0941 31.0014 177.9175 7 I 3.6729 8.1716 119.0021 64.5761 37.1827 178.2398 8 Q 4.4541 8.2436 117.7861 58.1224 28.6696 177.3905 9 E 4.0735 7.7419 116.8651 58.3360 29.8347 177.6221 10 I 3.9694 7.5139 117.5547 62.4834 38.5931 175.7568 11 L 4.4547 7.8270 119.4457 52.8079 42.6812 175.3714 12 P 4.4483 0.0000 0.0000 64.1106 32.0010 176.4815 13 H 4.2425 8.1629 116.7086 56.4330 29.2954 174.3981 14 R 4.7963 8.2097 120.4237 53.8626 34.2270 173.8804 15 Y 4.4145 8.6911 119.9915 58.0919 38.8946 174.0040 16 P 4.1581 0.0000 0.0000 62.7652 31.8792 175.2436 17 F 4.4474 8.5248 119.5927 58.6751 39.9069 174.2686 18 L 4.4689 8.1794 121.7538 53.5056 41.8839 175.1034 19 L 4.6339 8.2663 125.4682 54.1385 42.0105 176.3654 20 V 4.5013 7.5086 118.0279 61.3087 33.8169 174.8311 21 D 4.6344 8.9124 127.3011 56.1680 41.9089 176.8432 22 K 4.4573 7.2631 116.8835 55.2512 35.6977 174.2718 23 I 4.7491 8.4547 128.2974 60.1464 37.8076 175.7027 24 T 4.3577 9.0192 118.7242 63.4864 70.1935 175.0709 25 E 4.7207 7.9223 121.9343 54.8272 33.4103 173.9786 26 L 4.9386 8.5205 128.5407 54.0614 44.6974 174.9830 27 K 4.5683 8.9490 127.6335 54.3713 33.5686 176.9256 28 V 3.7661 8.5079 118.7198 63.1772 31.9314 176.9189 29 K 4.4656 9.3172 123.0426 57.0113 30.3647 174.8910 30 E 4.6302 7.7550 116.4145 56.6075 32.1675 174.6671 31 V 5.1271 8.3424 117.1479 60.2871 35.5565 173.3444 32 V 5.0141 8.4145 120.9414 60.1982 34.3918 174.2256 33 L 5.0666 9.2429 124.7059 53.1312 44.6201 175.9146 34 G 4.5652 8.8488 109.4389 46.0950 0.0000 170.7308 35 Y 5.2717 8.7194 116.9205 55.6389 41.9132 173.6946 36 K 5.0725 8.7736 121.2233 54.5996 35.4903 174.7865 37 N 4.8600 9.5788 125.5254 53.2465 39.5517 174.4521 38 I 4.4076 8.3965 124.6164 59.7590 39.4157 174.8012 39 S 5.0014 8.5554 120.5171 56.2883 66.0499 174.4615 40 I 4.0324 8.5051 117.1894 62.3896 37.5031 176.7565 41 S 4.3700 8.0380 115.4647 59.2709 63.5686 173.6060 42 D 4.6586 8.3355 123.5722 53.8384 41.3596 176.6603 43 H 4.3422 8.9719 122.5479 58.4360 28.9143 177.0280 44 V 3.4567 7.4927 113.7899 64.1457 31.9199 176.7913 45 F 4.5407 7.3752 119.5558 56.8064 37.3062 175.8693 *47 G 3.8723 7.6886 109.0446 45.6890 0.0000 172.1277 48 H 3.6665 8.2716 122.3090 54.6622 28.6077 176.0618 49 F 4.7130 7.9003 118.8737 57.2545 35.8431 171.2516 50 P 4.2921 0.0000 0.0000 64.1104 31.4999 176.8969 51 G 3.9836 9.8009 110.3056 46.2688 0.0000 173.9348 52 H 4.7938 8.2479 118.0116 54.2837 31.3284 170.2301 53 P 4.8644 0.0000 0.0000 62.8671 32.0900 177.1225 54 I 5.0162 8.5832 125.1731 59.3254 40.7194 174.6655 55 Y 4.1728 9.3861 129.6498 56.7346 39.4689 173.8548 56 P 3.9887 0.0000 0.0000 62.2463 32.3698 176.9800 57 G 3.1663 8.6557 110.5944 48.1784 0.0000 175.8145 58 V 3.7728 7.4902 114.1106 64.1004 31.4004 178.5488 59 L 3.9081 7.7403 118.8185 57.3508 41.1043 179.2427 60 I 3.9699 7.4772 118.9140 64.6080 37.2217 177.7019 61 L 4.1298 8.1465 117.6275 58.1769 41.8067 178.9229 62 E 4.0724 8.0600 118.6301 58.8824 29.4775 179.2613 63 G 3.6568 8.4203 105.1901 44.4757 0.0000 175.0896 *65 A 3.5003 8.0007 125.7953 51.5823 20.7701 180.1147 66 Q 3.8028 7.5734 114.7722 59.0716 28.7450 178.7480 67 T 3.8298 7.5598 116.9288 66.7241 68.4217 176.8708 68 G 3.2137 7.7565 106.9662 47.2197 0.0000 175.7204 69 G 3.7279 7.9593 108.0557 47.7960 0.0000 175.9173 70 V 3.6906 7.5514 120.6090 65.5042 31.3442 177.6650 71 L 3.9355 7.5382 118.2959 58.1555 41.7230 178.3613 72 A 3.0104 7.8943 120.6935 55.1007 17.9868 179.5824 73 F 4.1735 8.1367 114.9666 60.3969 39.0641 176.6755 74 E 4.7715 8.4001 116.7885 56.0268 31.5447 177.6423 75 S 4.5123 7.4360 115.0378 56.7387 63.7335 173.8670 *77 E 4.2417 8.2818 121.6680 55.4978 32.1567 176.5747 *83 K 4.3070 7.5335 115.2720 58.0372 32.9242 178.5685 84 S 4.6550 8.6168 110.9626 56.4924 61.9924 172.6026 85 K 4.8503 8.3287 123.9835 54.1042 36.0021 175.4993 86 V 4.7379 7.9773 117.0508 60.3483 35.1044 175.0470 87 V 3.9927 8.5079 122.0738 61.6053 32.7468 173.8387 88 Y 4.8895 8.3993 130.1257 56.0892 40.6580 174.2147 89 F 4.5747 8.9830 126.2462 57.1020 39.2080 175.4532 90 T 4.0846 8.4179 119.0101 62.3059 68.1779 174.6158 91 G 4.3699 7.7075 106.6366 45.7338 0.0000 172.1171 92 I 5.3725 8.2951 122.1616 59.5040 41.0689 174.4983 93 D 4.7185 9.0049 124.6088 52.6875 45.9456 175.4698 94 G 4.1177 8.6739 106.9658 46.3858 0.0000 172.8561 95 A 4.3682 7.8334 119.6670 51.3036 19.6611 178.3963 96 K 4.3735 8.8216 121.7147 54.5004 36.4081 175.2449 97 F 4.9761 8.6635 123.2495 56.2849 40.1655 174.4252 98 R 4.4271 9.6282 125.2975 57.0347 30.2326 175.5095 99 N 5.1974 7.7843 116.3456 50.2150 42.5272 172.6343 100 P 4.4619 0.0000 0.0000 63.3231 32.2732 175.7401 101 V 4.5003 8.5318 122.5521 61.3661 34.0673 174.5658 102 R 5.0229 9.4338 125.6851 53.3045 34.7140 173.1392 103 P 4.2782 0.0000 0.0000 64.5127 31.6507 176.9413 104 G 3.9911 9.0241 111.2210 45.1631 0.0000 173.5683 105 D 4.5722 7.9465 120.2090 53.8370 42.3637 175.5271 106 R 4.4189 8.3546 123.2160 55.2735 31.2428 175.4295 107 L 4.3952 8.7760 130.2054 53.9545 43.0401 174.6756 108 D 4.8898 9.1392 128.1428 53.6695 41.8318 175.5430 109 Y 5.2515 9.0815 122.0421 57.0810 40.2640 174.6248 110 E 4.9835 9.3713 121.9376 54.5834 34.8050 174.5006 *112 S 4.7705 8.3499 113.7198 58.4990 64.8137 173.0881 113 V 4.1950 8.7869 123.1120 62.9345 31.2158 175.9201 114 V 4.1326 8.7946 122.0232 62.6109 32.8946 176.5313 115 K 4.5345 7.5531 119.5770 54.6075 36.1146 174.8370 116 N 4.5486 8.2534 123.4417 51.9532 41.6453 173.8594 117 R 4.3677 8.1005 124.7652 55.2608 34.7573 176.3781 118 G 3.8170 8.5690 113.4315 46.7990 0.0000 175.7628 119 N 4.6822 8.8110 116.1001 50.6362 36.2004 173.0954 *121 W 4.4396 7.6600 124.1870 57.2439 31.5975 174.0716 122 I 4.9761 8.3228 124.4763 59.4958 39.9140 174.4295 123 F 5.4764 9.4481 125.8054 55.5712 42.1296 174.3467 124 K 4.6736 9.2852 125.3234 55.3369 33.0246 175.9324 125 G 4.4314 9.2000 114.8444 44.7114 0.0000 171.6445 126 Q 5.1307 9.3075 120.7706 53.9979 33.9759 173.6206 127 A 5.2890 8.5819 123.5180 50.2637 22.3397 175.2784 128 F 5.3487 9.3475 119.4751 55.7182 44.1568 174.2975 129 V 4.6425 8.4008 120.2736 61.5803 34.4275 175.2423 130 D 4.2006 9.9509 128.5388 55.5148 38.3835 174.7533 131 G 3.7564 8.5528 103.8676 45.5691 0.0000 173.1138 132 N 4.9015 7.9864 119.2141 50.9318 40.0499 173.9845 133 L 4.0028 8.8316 127.9715 55.6824 42.6964 176.4955 134 V 4.5071 8.7141 118.0425 61.7618 34.9089 175.2901 135 A 5.2277 7.5588 120.0854 50.8576 22.7382 174.8483 136 E 5.0539 8.2985 116.1231 55.5910 33.4276 173.8340 137 A 4.9658 8.6279 120.5286 52.0791 23.6354 174.7908 138 E 5.1387 8.8600 118.3646 54.7673 32.2140 174.8695 139 L 5.2784 9.1363 123.3717 52.8987 44.9664 175.0546 140 K 5.0482 9.3982 125.1502 54.9227 34.3509 174.9452 141 A 5.1517 8.5708 128.2389 48.9398 22.5034 174.7359 *143 I 4.5088 8.1017 116.9386 61.5819 38.4999 176.6891 144 V 4.0150 8.1868 123.3817 63.0546 31.2122 175.2914 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 I 7.87 4.22 1.87 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 1.38 1.53 0.98 0.00 0.00 3 D 8.34 4.81 0.00 2.92 2.79 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 0.00 0.00 0.00 4 V 8.66 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 0.83 0.00 0.00 0.91 0.00 0.00 *6 Q 8.21 4.26 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 7 I 8.17 3.67 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.87 0.00 0.00 8 Q 8.24 4.45 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 9 E 7.74 4.07 0.00 2.09 1.96 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 2.32 2.40 0.00 10 I 7.51 3.97 1.94 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 0.48 0.80 0.00 0.00 11 L 7.83 4.45 0.00 1.59 1.72 0.92 1.24 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 12 P 0.00 4.45 0.00 2.15 2.14 0.00 3.90 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 13 H 8.16 4.24 0.00 3.19 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.21 4.80 0.00 1.83 1.85 0.00 3.44 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.55 0.00 15 Y 8.69 4.41 0.00 2.95 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 16 P 0.00 4.16 0.00 1.90 0.92 0.00 3.59 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 17 F 8.52 4.45 0.00 2.85 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 18 L 8.18 4.47 0.00 1.60 1.65 0.91 1.03 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 19 L 8.27 4.63 0.00 1.51 1.65 0.43 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.51 4.50 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 0.90 0.00 0.00 0.74 0.00 0.00 21 D 8.91 4.63 0.00 2.55 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 22 K 7.26 4.46 0.00 1.37 0.74 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.46 7.81 23 I 8.45 4.75 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 1.23 0.98 1.01 0.00 0.00 24 T 9.02 4.36 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 1.41 0.00 0.00 25 E 7.92 4.72 0.00 2.11 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 2.32 2.41 0.00 26 L 8.52 4.94 0.00 1.67 1.55 0.99 0.64 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 27 K 8.95 4.57 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.48 7.81 28 V 8.51 3.77 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 0.90 0.00 0.00 0.99 0.00 0.00 29 K 9.32 4.47 0.00 1.97 1.97 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.33 7.81 30 E 7.76 4.63 0.00 1.99 1.95 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 2.25 2.26 0.00 31 V 8.34 5.13 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 0.77 0.00 0.00 1.02 0.00 0.00 32 V 8.41 5.01 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 0.81 0.00 0.00 0.96 0.00 0.00 33 L 9.24 5.07 0.00 1.61 1.68 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.85 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.72 5.27 0.00 2.98 3.08 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 36 K 8.77 5.07 0.00 2.15 1.62 0.00 1.68 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.49 7.81 37 N 9.58 4.86 0.00 2.83 2.77 0.00 0.00 6.92 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 38 I 8.40 4.41 1.87 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.91 0.00 0.00 39 S 8.56 5.00 0.00 3.86 3.68 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 40 I 8.51 4.03 1.88 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 1.42 0.50 0.77 0.00 0.00 41 S 8.04 4.37 0.00 4.06 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 42 D 8.34 4.66 0.00 3.07 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 43 H 8.97 4.34 0.00 3.34 3.51 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.49 3.46 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 0.37 0.00 0.00 0.26 0.00 0.00 45 F 7.38 4.54 0.00 3.16 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 *47 G 7.69 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 48 H 8.27 3.67 0.00 2.80 2.91 0.00 5.57 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.90 4.71 0.00 3.49 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 50 P 0.00 4.29 0.00 2.11 2.11 0.00 3.97 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 51 G 9.80 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 52 H 8.25 4.79 0.00 3.07 3.28 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.86 0.00 1.42 1.84 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 54 I 8.58 5.02 2.23 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 1.13 0.00 0.00 55 Y 9.39 4.17 0.00 3.12 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 56 P 0.00 3.99 0.00 1.71 1.43 0.00 2.49 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.00 57 G 8.66 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 0.00 0.00 0.00 58 V 7.49 3.77 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 0.92 0.00 0.00 0.81 0.00 0.00 59 L 7.74 3.91 0.00 1.19 1.43 0.20 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.48 3.97 2.24 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.82 1.11 0.00 0.00 61 L 8.15 4.13 0.00 1.84 1.75 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.06 4.07 0.00 2.10 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 2.29 2.19 0.00 63 G 8.42 3.66 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 0.00 0.00 0.00 *65 A 8.00 3.50 0.44 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 0.00 0.00 66 Q 7.57 3.80 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.03 2.47 0.00 67 T 7.56 3.83 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 1.19 0.00 0.00 68 G 7.76 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 0.00 0.00 0.00 69 G 7.96 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 0.00 0.00 0.00 70 V 7.55 3.69 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 1.07 0.00 0.00 0.95 0.00 0.00 71 L 7.54 3.94 0.00 1.74 1.85 1.14 1.38 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 72 A 7.89 3.01 0.69 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 73 F 8.14 4.17 0.00 3.20 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 74 E 8.40 4.77 0.00 2.10 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 2.37 2.52 0.00 75 S 7.44 4.51 0.00 4.20 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 *77 E 8.28 4.24 0.00 1.97 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 2.21 2.40 0.00 *83 K 7.53 4.31 0.00 1.97 1.69 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.54 7.81 84 S 8.62 4.66 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.33 4.85 0.00 1.68 1.72 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.35 7.81 86 V 7.98 4.74 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 0.74 0.00 0.00 0.98 0.00 0.00 87 V 8.51 3.99 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 0.61 0.00 0.00 0.04 0.00 0.00 88 Y 8.40 4.89 0.00 2.98 2.79 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 0.00 0.00 0.00 89 F 8.98 4.57 0.00 2.89 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 90 T 8.42 4.08 4.07 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 0.00 0.00 0.00 1.16 0.00 0.00 91 G 7.71 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 0.00 0.00 0.00 0.00 92 I 8.30 5.37 1.90 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 1.41 0.77 0.92 0.00 0.00 93 D 9.00 4.72 0.00 2.55 2.49 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 94 G 8.67 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 0.00 0.00 0.00 95 A 7.83 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.82 4.37 0.00 1.45 1.56 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.62 7.81 97 F 8.66 4.98 0.00 2.99 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 98 R 9.63 4.43 0.00 1.78 1.99 0.00 3.21 0.00 0.00 3.35 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 99 N 7.78 5.20 0.00 2.74 2.70 0.00 0.00 6.89 8.02 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 0.00 100 P 0.00 4.46 0.00 1.98 2.07 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 101 V 8.53 4.50 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 1.10 0.00 0.00 1.00 0.00 0.00 102 R 9.43 5.02 0.00 1.68 1.67 0.00 3.14 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 103 P 0.00 4.28 0.00 1.80 1.79 0.00 3.37 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.00 104 G 9.02 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 0.00 105 D 7.95 4.57 0.00 2.69 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 0.00 106 R 8.35 4.42 0.00 1.64 1.65 0.00 2.21 0.00 0.00 2.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.45 0.00 107 L 8.78 4.40 0.00 1.58 1.43 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.14 4.89 0.00 2.80 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 0.00 109 Y 9.08 5.25 0.00 2.98 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 0.00 110 E 9.37 4.98 0.00 2.11 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 2.53 0.00 *112 S 8.35 4.77 0.00 4.03 4.15 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 0.00 113 V 8.79 4.19 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 0.44 0.00 0.00 1.33 0.00 0.00 114 V 8.79 4.13 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 0.71 0.00 0.00 0.96 0.00 0.00 115 K 7.55 4.53 0.00 1.67 1.43 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.31 7.81 116 N 8.25 4.55 0.00 1.80 2.11 0.00 0.00 6.80 7.65 0.00 0.00 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 R 8.10 4.37 0.00 1.65 1.69 0.00 3.32 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 118 G 8.57 3.82 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 0.00 0.00 0.00 119 N 8.81 4.68 0.00 2.88 2.90 0.00 0.00 5.89 8.88 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 *121 W 7.66 4.44 0.00 3.10 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 I 8.32 4.98 1.78 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 1.19 0.62 0.92 0.00 0.00 123 F 9.45 5.48 0.00 3.14 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 0.00 124 K 9.29 4.67 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.54 7.81 125 G 9.20 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 0.00 0.00 0.00 0.00 126 Q 9.31 5.13 0.00 2.05 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 127 A 8.58 5.29 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 0.00 128 F 9.35 5.35 0.00 2.93 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 0.00 129 V 8.40 4.64 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 1.00 0.00 0.00 0.91 0.00 0.00 130 D 9.95 4.20 0.00 2.81 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 0.00 131 G 8.55 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 0.00 132 N 7.99 4.90 0.00 2.87 2.88 0.00 0.00 6.83 6.70 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 0.00 133 L 8.83 4.00 0.00 1.72 1.55 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.71 4.51 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 0.81 0.00 0.00 0.96 0.00 0.00 135 A 7.56 5.23 1.26 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 0.00 0.00 136 E 8.30 5.05 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 137 A 8.63 4.97 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 0.00 138 E 8.86 5.14 0.00 2.25 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 0.00 2.23 2.30 0.00 139 L 9.14 5.28 0.00 2.01 2.07 0.85 0.99 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 0.00 140 K 9.40 5.05 0.00 1.81 1.67 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 141 A 8.57 5.15 0.43 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 *143 I 8.10 4.51 1.89 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.95 0.91 0.00 0.00 144 V 8.19 4.02 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 0.74 0.00 0.00 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.