NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8302 8.3549 109.7413 45.5385 0.0000 173.3073 *2 T 4.1374 8.2743 121.2804 62.6471 69.7234 174.0759 3 K 3.9763 8.5087 124.3778 57.2549 33.0057 176.5889 4 T 4.3761 8.2734 118.1889 63.2765 68.7820 174.4365 5 F 4.4417 9.6392 126.9478 57.2904 39.3678 175.6261 6 K 4.6315 9.7985 124.3103 56.0607 34.8650 175.9526 7 T 4.8684 7.9736 107.1379 58.7868 72.0298 174.4934 8 L 4.3870 8.6518 122.2907 58.5574 41.7925 178.4073 9 D 4.4185 8.2137 117.4927 57.4550 40.8165 177.9884 10 D 4.4431 7.9318 118.4265 57.1028 41.1697 178.3962 11 F 4.4800 7.8261 120.0018 60.2868 39.5803 175.5650 12 L 3.9329 7.4437 117.5987 56.4516 42.0173 177.8877 13 G 4.0169 9.1064 111.5526 45.0400 0.0000 172.9276 14 T 4.6046 7.4563 117.2276 63.0816 70.0109 173.1393 15 H 5.5606 9.0457 126.6065 54.7182 31.3298 173.6449 16 F 5.6165 10.2412 124.5017 55.9536 42.7484 174.4069 17 I 5.3956 9.1694 121.8205 59.9276 40.6476 174.2440 18 Y 5.4472 8.7511 123.2364 55.9312 42.1718 173.8856 19 T 5.1197 8.8134 117.0460 61.9059 71.2864 173.6575 20 Y 4.6734 9.3792 124.9147 57.8575 38.7423 177.2027 21 D 4.4399 8.9335 122.0482 57.4936 41.0222 177.9024 22 N 4.3999 8.3166 114.6014 53.3447 37.5791 175.8218 23 G 4.1907 8.3505 107.7620 45.0212 0.0000 174.2930 24 W 4.8462 9.2951 121.3258 57.1445 30.3641 174.7291 25 E 5.3363 9.2657 124.9729 54.7182 31.9775 174.1541 26 Y 5.1597 8.9217 123.9091 56.0562 42.2805 173.9830 27 E 5.2963 9.5902 123.2709 54.3507 32.7919 174.5252 28 W 5.9885 9.9706 135.0000 56.3065 35.2283 172.7780 29 Y 5.2247 8.5078 126.9874 56.0509 41.7146 174.2140 30 A 4.0169 8.1372 129.2991 50.3499 17.6358 177.5564 31 K 2.5873 7.7483 122.9532 58.7415 32.8980 176.3277 32 N 4.8798 7.2815 113.1709 52.7489 39.3048 174.0586 33 D 4.6219 8.6492 117.1477 56.0983 39.5486 176.4159 34 H 5.4208 8.5460 114.0380 54.6346 31.2208 172.6902 35 T 4.9951 8.0257 115.1241 62.5612 72.9660 173.2690 36 V 4.3565 8.6938 118.8538 59.4001 35.6551 174.3024 37 D 5.5181 8.1592 123.3000 52.9355 44.1404 174.7088 38 Y 5.5470 8.7753 119.0721 56.3392 42.2109 173.3651 39 R 5.1544 9.8043 120.4528 54.9453 34.0734 173.5296 40 I 4.2984 8.8420 127.2632 60.3307 38.3598 175.8780 41 H 4.5652 9.1100 124.3894 56.5339 30.6478 175.3876 42 G 3.6755 8.0363 103.7665 46.7002 0.0000 172.0159 43 G 4.0607 9.3152 112.4383 45.5454 0.0000 174.8027 *45 V 4.0270 7.9235 109.2311 59.6667 33.7992 175.6252 46 A 4.1361 7.2988 122.1128 54.0059 18.5927 178.5565 47 G 4.0684 8.8365 111.0467 45.2581 0.0000 174.3606 48 R 4.5672 7.8542 120.7976 56.3321 31.3841 175.4717 49 W 5.6581 8.9017 121.2056 55.6979 32.3812 173.5111 50 V 4.8680 8.9510 120.3374 61.8006 34.5509 173.5677 51 T 4.9725 8.6242 116.9393 60.7703 71.4722 172.7928 52 D 4.2443 9.2848 120.1991 55.3827 39.0050 174.0769 53 Q 4.1066 7.7918 121.0226 55.6802 29.9123 175.2975 54 K 4.7282 8.6830 126.5349 56.6692 32.8980 176.3029 55 A 5.0497 9.0477 124.8486 50.7295 23.5133 174.3085 56 D 4.9404 9.4095 120.3617 53.4045 42.8479 175.3731 57 I 5.1787 8.5129 125.9370 58.9380 40.0934 174.0272 58 V 4.3239 8.7298 123.6779 61.1522 34.7928 177.7780 *60 L 4.2396 8.8526 125.9778 55.7975 43.3928 176.0225 61 T 4.2810 7.4748 109.4880 60.2393 70.5540 171.4829 62 E 3.8613 8.6171 125.2098 58.0197 29.2569 177.2975 63 G 4.0415 8.8726 113.9892 45.4143 0.0000 172.2603 64 I 4.4542 7.3983 120.9988 59.2126 40.0911 173.9222 65 Y 4.7305 8.4663 121.9876 55.8849 41.5773 174.2071 66 K 5.0568 9.0965 125.5403 54.6743 35.1427 174.6766 67 I 5.3642 9.1547 127.8424 59.7657 40.5699 174.4949 68 S 5.4403 9.3120 123.3741 56.5075 65.9686 173.3186 69 W 5.6160 8.7992 120.1285 55.7137 31.8398 173.2535 70 T 5.1749 8.8119 114.4227 60.5247 69.9987 172.5502 71 E 5.0351 8.9729 125.8024 53.8793 32.5711 175.4346 72 P 4.3103 0.0000 0.0000 65.9526 31.5138 178.2168 73 T 4.4520 8.0561 106.8287 63.1487 69.0359 175.4382 74 G 4.1354 8.4282 110.7977 45.0854 0.0000 173.8194 75 T 4.3132 7.8472 117.3242 63.7430 69.6837 173.1811 76 D 5.3725 8.6285 124.6487 52.6364 44.1436 175.5621 77 V 4.5500 8.4387 121.0349 60.9345 35.2461 173.9653 78 A 4.9769 8.7618 128.5873 50.3033 21.8704 174.4969 79 L 4.7977 9.0359 122.7664 53.4358 44.7608 175.7815 80 D 5.2342 8.7829 123.1001 52.9274 43.7736 175.7610 81 F 4.4094 9.1545 124.7028 55.4191 41.5934 174.7060 *83 P 4.4092 0.0000 0.0000 63.3752 32.6770 178.3611 84 N 4.5266 8.3253 114.7090 55.3047 38.5958 175.2414 85 E 4.4897 8.1873 115.2784 54.9979 30.5502 175.5383 86 K 3.9252 8.1402 118.3690 57.1559 30.3609 174.1121 87 K 5.0840 7.6946 116.0595 54.9441 35.9785 174.7027 88 L 4.6531 8.5182 125.1391 53.6345 46.4942 174.1533 89 H 4.7804 8.8676 121.9172 54.1309 32.8371 172.1713 90 G 4.3545 8.7924 113.0577 43.7945 0.0000 172.0476 91 T 4.7497 8.5630 120.0529 61.3972 71.5460 172.9791 92 I 4.2542 7.9558 127.6559 59.3758 40.0405 174.9582 93 F 4.8903 8.8830 126.9535 55.8599 39.8821 174.3887 94 F 4.7662 9.1629 123.6281 55.8155 40.5338 174.1962 95 P 4.7146 0.0000 0.0000 62.1604 32.2342 177.0659 96 K 3.8561 9.1861 122.7566 59.8643 31.9498 179.2516 97 W 4.5410 8.2505 117.7840 58.9254 27.4587 178.6013 98 V 2.8747 6.7995 118.9777 65.4323 30.6135 177.6182 99 E 3.7417 7.7294 117.7188 59.1786 29.8614 178.1893 100 E 4.0444 8.1364 118.7117 58.3721 30.6934 176.6633 101 H 5.1311 8.4190 114.8209 53.1040 29.6444 172.6290 102 P 4.3288 0.0000 0.0000 65.9317 31.7110 178.9890 103 E 4.0252 8.1859 117.6446 60.9522 29.3246 182.4507 104 I 4.0110 7.4796 118.8827 64.7131 37.3199 177.4133 105 T 4.1831 7.7384 107.4261 62.9568 69.1556 175.5717 106 V 3.8676 7.1957 122.5831 61.7635 30.0428 174.1847 107 T 4.1862 7.4220 119.2877 59.9589 70.3004 171.4999 108 Y 3.6645 8.1077 123.3166 56.5327 38.3163 174.8421 109 Q 3.8790 8.3923 129.7556 59.3672 28.9170 178.0095 110 N 3.9596 7.0958 115.7740 55.6017 38.4923 175.9467 111 E 4.1773 7.0720 117.3646 56.5746 29.8672 176.0309 112 H 5.0878 8.1769 117.8429 55.0931 30.3808 175.9925 113 I 3.7519 8.1263 122.0634 64.5173 37.5074 177.4430 114 D 4.4798 8.2963 119.4812 56.5124 39.1272 179.1237 115 L 4.1831 7.5565 117.8042 55.2870 41.5440 178.1854 *117 E 4.3072 8.3035 118.4395 56.0890 31.6002 178.3129 118 Q 3.9877 8.3462 117.9405 59.0393 28.6855 178.9167 119 S 3.7701 8.0715 116.6321 61.2583 62.5258 176.6985 120 R 3.5592 7.4157 116.4705 58.0837 29.5674 177.7160 121 E 4.1903 7.2802 117.3773 58.3337 29.9577 178.0405 122 K 3.8344 7.4732 119.1208 57.8911 32.4147 176.1804 123 Y 4.6940 6.8069 114.5172 55.4010 40.7405 175.0521 124 A 4.2653 8.5636 123.5218 53.0138 19.2985 178.5844 125 T 4.1175 8.5674 118.0240 64.8792 69.5042 174.7107 126 Y 5.2230 7.4027 116.7525 55.1944 40.5310 173.5079 127 P 4.8079 0.0000 0.0000 62.5895 32.4061 176.2943 128 K 4.4046 8.8334 121.1270 56.5525 33.3683 176.2102 129 L 4.5035 8.7304 125.7339 54.0173 43.3531 175.2223 130 V 4.4936 8.3974 126.9065 61.3016 33.2893 175.3921 131 V 4.0864 8.6629 129.1669 60.2794 32.6611 171.0967 132 P 4.9180 0.0000 0.0000 60.9410 32.4181 174.6892 133 E 4.5813 8.7154 123.7288 54.3518 34.5036 175.2323 134 F 4.8302 8.7291 120.6806 57.6091 40.7191 174.2240 135 A 5.1308 8.9579 122.2723 50.3746 23.0497 174.6940 136 N 5.0330 8.9005 117.9736 52.1740 40.4624 174.5846 137 I 4.7757 8.5505 125.9503 61.3417 37.2304 175.8797 138 T 4.5571 9.1886 117.8953 62.3722 70.5496 173.2139 139 Y 4.6389 7.7948 122.1673 56.3598 43.1008 173.2109 *141 G 3.8137 8.4797 105.6880 46.1996 0.0000 172.0649 142 D 5.1365 8.6108 122.1961 52.9481 40.2354 175.6728 143 A 4.2091 8.8921 126.7973 51.6905 19.0517 178.1264 144 G 3.9933 8.3376 103.4430 44.7756 0.0000 173.2638 145 Q 4.2399 8.2011 117.2179 56.1318 29.5676 175.6994 146 N 3.7717 8.5165 115.2328 54.3273 36.5086 174.7874 147 N 4.6488 8.3794 117.5530 52.3725 38.6060 174.8665 148 E 4.3035 8.5894 124.9755 57.5441 29.9414 177.4666 149 D 4.5516 8.0790 118.2109 54.9967 41.6053 178.0392 150 V 2.2268 6.8559 118.1672 64.6974 31.3467 175.9997 151 I 4.2190 7.2404 121.9782 59.5701 38.2698 174.3623 152 S 4.2786 7.6150 119.4118 56.9374 65.5510 173.3977 153 E 3.2619 8.4014 118.3859 59.0557 29.1991 177.6459 154 A 4.3875 7.0830 120.3580 49.8549 20.1950 174.8538 155 P 4.4194 0.0000 0.0000 62.3923 32.7730 176.1887 156 Y 4.1437 8.9026 122.4843 61.2052 39.3370 177.2823 157 K 3.9690 7.5900 118.9388 58.2611 29.5726 175.1441 158 E 4.3039 6.6843 110.6826 54.6877 30.5015 176.4575 *160 P 4.2298 0.0000 0.0000 63.5386 31.6384 176.2920 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 0 G 8.35 3.83 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 0.00 0.00 0.00 *2 T 8.27 4.14 4.35 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 1.40 0.00 0.00 3 K 8.51 3.98 0.00 1.74 1.74 0.00 1.33 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.21 0.97 7.81 4 T 8.27 4.38 4.28 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 1.30 0.00 0.00 5 F 9.64 4.44 0.00 3.34 3.45 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 6 K 9.80 4.63 0.00 1.73 1.95 0.00 1.68 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.58 7.81 7 T 7.97 4.87 4.35 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 1.28 0.00 0.00 8 L 8.65 4.39 0.00 1.96 1.84 1.15 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.21 4.42 0.00 2.72 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 10 D 7.93 4.44 0.00 3.06 2.57 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 11 F 7.83 4.48 0.00 1.88 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 12 L 7.44 3.93 0.00 1.67 1.55 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.11 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 0.00 0.00 0.00 14 T 7.46 4.60 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 0.48 0.00 0.00 15 H 9.05 5.56 0.00 3.00 3.38 0.00 5.71 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 16 F 10.24 5.62 0.00 3.64 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 17 I 9.17 5.40 2.04 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.98 0.00 0.00 18 Y 8.75 5.45 0.00 2.97 2.99 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 19 T 8.81 5.12 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 1.39 0.00 0.00 20 Y 9.38 4.67 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 D 8.93 4.44 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.32 4.40 0.00 2.55 2.88 0.00 0.00 7.24 6.56 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 23 G 8.35 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 0.00 0.00 0.00 0.00 24 W 9.30 4.85 0.00 3.71 3.51 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 25 E 9.27 5.34 0.00 2.15 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 2.47 0.00 26 Y 8.92 5.16 0.00 1.91 2.55 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 0.00 0.00 0.00 0.00 27 E 9.59 5.30 0.00 2.14 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 2.47 2.39 0.00 28 W 9.97 5.99 0.00 3.85 3.58 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 29 Y 8.51 5.22 0.00 2.86 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 30 A 8.14 4.02 0.91 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 31 K 7.75 2.59 0.00 1.10 1.52 0.00 1.74 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.29 7.81 32 N 7.28 4.88 0.00 2.86 2.89 0.00 0.00 6.49 8.07 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 33 D 8.65 4.62 0.00 2.88 2.89 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 34 H 8.55 5.42 0.00 3.20 3.48 0.00 5.50 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.03 5.00 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 1.07 0.00 0.00 36 V 8.69 4.36 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 0.67 0.00 0.00 0.39 0.00 0.00 37 D 8.16 5.52 0.00 2.76 2.59 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 38 Y 8.78 5.55 0.00 3.54 3.24 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 39 R 9.80 5.15 0.00 1.81 1.77 0.00 3.04 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.47 0.00 40 I 8.84 4.30 1.70 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 0.41 0.69 0.46 0.00 0.00 41 H 9.11 4.57 0.00 2.99 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.04 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 0.00 0.00 0.00 43 G 9.32 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 *45 V 7.92 4.03 1.97 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 0.64 0.00 0.00 0.69 0.00 0.00 46 A 7.30 4.14 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 47 G 8.84 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 0.00 0.00 0.00 0.00 48 R 7.85 4.57 0.00 1.99 1.96 0.00 3.32 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 49 W 8.90 5.66 0.00 3.57 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 50 V 8.95 4.87 0.90 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 0.71 0.00 0.00 0.67 0.00 0.00 51 T 8.62 4.97 4.31 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 1.43 0.00 0.00 52 D 9.28 4.24 0.00 2.74 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 53 Q 7.79 4.11 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.49 7.00 0.00 0.00 0.00 0.00 0.00 1.39 1.94 0.00 54 K 8.68 4.73 0.00 2.00 1.80 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.44 1.02 7.81 55 A 9.05 5.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.41 4.94 0.00 2.88 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 57 I 8.51 5.18 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.97 1.17 0.00 0.00 58 V 8.73 4.32 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 0.84 0.00 0.00 0.95 0.00 0.00 *60 L 8.85 4.24 0.00 1.42 1.69 0.90 0.67 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 61 T 7.47 4.28 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 1.12 0.00 0.00 62 E 8.62 3.86 0.00 1.95 1.91 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 2.34 2.61 0.00 63 G 8.87 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 64 I 7.40 4.45 1.66 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 1.20 0.83 0.84 0.00 0.00 65 Y 8.47 4.73 0.00 1.95 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 0.00 0.00 0.00 66 K 9.10 5.06 0.00 1.76 1.64 0.00 1.53 0.00 0.00 1.64 0.00 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0.00 2.82 3.03 0.00 0.00 6.79 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 85 E 8.19 4.49 0.00 1.94 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 2.23 2.31 0.00 86 K 8.14 3.93 0.00 1.97 2.05 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.42 7.81 87 K 7.69 5.08 0.00 1.82 1.59 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.63 7.81 88 L 8.52 4.65 0.00 0.75 0.64 -1.57 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.87 4.78 0.00 2.63 2.73 0.00 5.59 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 90 G 8.79 4.35 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 0.00 91 T 8.56 4.75 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 0.14 0.00 0.00 92 I 7.96 4.25 1.39 0.00 0.00 0.85 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.96 5.13 0.64 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 0.00 0.00 136 N 8.90 5.03 0.00 2.70 2.79 0.00 0.00 7.13 6.95 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 0.00 137 I 8.55 4.78 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 1.26 0.00 0.00 138 T 9.19 4.56 4.35 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 1.30 0.00 0.00 139 Y 7.79 4.64 0.00 3.03 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 *141 G 8.48 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 0.00 142 D 8.61 5.14 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.89 4.21 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 0.00 144 G 8.34 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 0.00 145 Q 8.20 4.24 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.31 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 146 N 8.52 3.77 0.00 2.79 2.88 0.00 0.00 6.83 7.88 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 0.00 147 N 8.38 4.65 0.00 2.80 2.55 0.00 0.00 7.30 7.18 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 0.00 148 E 8.59 4.30 0.00 2.00 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 2.28 0.00 149 D 8.08 4.55 0.00 2.87 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 0.00 150 V 6.86 2.23 1.06 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 -0.24 0.00 0.00 -0.36 0.00 0.00 151 I 7.24 4.22 1.92 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 1.38 1.14 1.03 0.00 0.00 152 S 7.61 4.28 0.00 3.82 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 0.00 153 E 8.40 3.26 0.00 1.84 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 2.39 2.46 0.00 154 A 7.08 4.39 1.14 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 0.00 155 P 0.00 4.42 0.00 2.13 1.98 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 156 Y 8.90 4.14 0.00 3.03 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 0.00 157 K 7.59 3.97 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.34 7.81 158 E 6.68 4.30 0.00 2.08 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 2.18 2.09 0.00 *160 P 0.00 4.23 0.00 2.18 2.12 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.