NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1C H 4.7095 8.4449 117.3728 54.8198 30.4269 174.3921 1D H 4.3814 8.0541 116.4908 56.7154 29.2100 173.5780 1E H 5.1274 7.7035 114.8940 53.4491 33.3351 172.0005 1F H 4.6323 8.8993 116.7429 55.9458 28.9883 174.4107 1G F 4.8274 8.4211 119.6500 57.7977 39.8744 174.3914 2 N 4.6530 8.4567 117.4575 52.2610 38.9496 174.5881 3 L 4.7781 8.0736 123.3786 52.0457 44.0275 174.6395 4 P 4.5809 0.0000 0.0000 61.0399 32.4821 174.1829 5 P 4.3500 0.0000 0.0000 61.9844 31.8170 176.5016 6 G 3.4243 8.5416 111.2475 47.1939 0.0000 174.6506 7 N 4.9590 7.1971 121.3790 51.8238 38.4390 171.2038 8 Y 5.1129 7.3982 118.4319 58.9501 41.0571 178.8804 9 K 4.1926 8.4347 120.7730 56.8182 31.9177 182.3159 10 K 4.7987 7.6021 116.6038 53.0452 35.1809 173.9930 11 P 4.7786 0.0000 0.0000 63.3277 32.2329 175.1958 12 K 4.9304 9.4150 119.2103 55.2214 37.4025 174.9824 13 L 5.1436 9.2828 121.6851 53.6408 44.1455 176.2829 14 L 4.9627 8.8664 123.1487 53.4750 42.9103 173.8676 15 Y 4.8184 9.2509 126.2034 56.6733 40.5621 173.5369 16 C 4.1069 8.7171 128.8473 57.8666 32.0646 174.3626 17 S 3.7811 7.9940 122.0990 61.1784 62.6429 174.8899 18 N 3.9092 8.1138 117.9807 56.2174 38.6931 174.8810 19 G 3.8491 7.5558 104.5555 44.4778 0.0000 172.4758 20 G 3.4308 7.5093 105.9932 44.8125 0.0000 173.4743 21 H 4.8943 6.9145 114.2475 53.6511 33.3176 174.4402 22 F 5.3014 9.1545 120.6638 55.8932 40.5284 175.4003 23 L 4.5769 9.0712 126.3010 55.7686 43.3225 175.7481 24 R 5.1141 9.5379 124.9534 54.9568 34.1143 173.5381 25 I 4.9366 8.2723 126.4236 59.5900 39.2103 175.6687 26 L 4.1935 9.3575 128.3350 53.1358 42.5701 176.2851 27 P 4.1217 0.0000 0.0000 66.0362 31.2766 177.1582 28 D 4.5342 8.0063 114.1374 53.5481 39.5102 177.0455 29 G 4.5114 8.9568 109.1031 45.7151 0.0000 173.8664 30 T 4.3474 8.4803 117.8086 63.1285 69.1141 173.7110 31 V 4.9328 7.9448 124.6427 61.2547 34.5653 174.5216 32 D 4.5784 8.5921 125.0196 53.1358 43.1245 174.1589 33 G 4.5588 8.7610 104.9580 45.3233 0.0000 172.3985 34 T 5.0005 9.0251 116.0156 60.3639 71.0862 174.5745 35 R 4.2788 8.8638 124.1035 56.4403 30.9886 176.3865 36 D 4.6526 8.1991 119.5949 53.0577 40.0795 176.5795 37 R 3.6815 8.6912 127.0554 57.6875 30.2009 176.9613 38 S 4.4632 8.5784 111.0525 58.7584 63.8488 174.1191 39 D 4.3420 7.6905 121.5900 55.1833 41.2343 175.7850 40 Q 4.2708 8.4635 123.4504 56.5212 28.9365 175.7512 41 H 4.8031 9.2672 115.5778 55.4876 29.3440 174.5886 42 I 4.7028 7.1735 109.7206 59.9753 38.4510 174.9842 43 Q 4.5673 7.4017 122.7224 54.8474 30.5665 174.5840 44 F 5.3212 9.1615 122.0535 55.5855 43.5877 173.7218 45 Q 4.9274 9.4247 123.1080 54.5479 30.9691 174.2995 46 L 5.3454 8.7431 126.5772 53.5983 43.9433 176.0851 47 S 4.4690 8.6678 115.1095 56.7130 67.0069 172.3815 48 A 4.7476 7.8939 123.1488 50.8308 19.5764 176.9384 49 E 4.0066 9.0903 123.5586 58.5207 30.1407 176.9508 50 S 4.6795 7.3775 112.2039 56.0406 67.2126 173.2807 51 V 3.7710 8.3167 121.6360 64.6599 31.5375 176.4039 52 G 3.9223 9.1653 114.7837 45.3780 0.0000 171.7385 53 E 5.1727 8.3205 120.4779 54.6188 32.0393 175.6783 54 V 4.8830 9.0504 117.0842 59.8326 36.8294 173.8891 55 Y 5.4291 8.5788 119.0781 56.6058 41.0450 175.4743 56 I 4.3200 8.6323 123.1318 59.6059 39.9749 173.8551 57 K 4.7826 8.7985 129.2837 54.0356 34.7969 175.1489 58 S 4.3353 8.9496 123.5235 58.4824 62.6580 174.9824 59 T 3.8543 8.3418 118.4492 64.7921 68.8081 176.0110 60 E 3.9746 8.2250 122.4409 58.8904 29.8389 177.2921 61 T 4.2245 7.8327 106.1956 61.0557 69.9029 175.7997 62 G 3.8551 8.2978 110.1329 45.1374 0.0000 173.6783 63 Q 4.4403 7.6474 118.9556 56.1203 30.2366 174.6725 64 Y 4.9425 9.0786 120.6841 56.1924 40.1436 175.0651 65 L 4.3619 9.0251 126.6052 55.4368 43.3950 175.5831 66 A 5.0263 8.8613 126.3206 50.9892 23.3544 174.4194 67 M 5.3150 8.5262 119.0085 53.8428 34.9415 175.4956 68 D 5.2691 9.5281 126.6690 52.6754 41.0309 176.9331 69 T 3.9804 8.5734 112.8611 64.9161 67.2640 174.0980 70 D 4.7397 8.4939 118.7473 53.8659 41.1726 177.0385 71 G 3.3527 8.5820 108.1992 45.2175 0.0000 173.2850 72 L 4.5093 8.5098 121.1534 53.7464 42.4853 176.0887 73 V 4.6800 8.3154 124.0047 62.8734 32.4046 174.3985 74 Y 4.9579 9.4300 125.3595 55.7873 42.3359 173.5766 75 G 4.2897 8.7808 107.4548 44.8537 0.0000 173.1788 76 S 5.0466 9.0686 121.3208 56.8479 63.8301 175.3209 77 Q 4.2649 9.1029 126.1190 58.2090 28.9161 176.5490 78 T 4.6529 7.5239 105.7756 58.5749 71.6470 171.5458 79 P 3.6449 0.0000 0.0000 62.2215 32.0906 175.1501 80 N 4.9549 7.9723 117.4069 51.4639 40.5903 174.5557 81 E 3.9187 8.7641 116.2373 59.5347 29.6948 178.7969 82 E 4.1763 8.8835 117.4192 57.6723 29.7588 177.6696 83 C 4.9400 7.9840 115.5042 59.5495 29.1166 173.6599 84 L 4.6055 7.3671 120.6922 54.1803 42.5848 175.9959 85 F 5.1938 9.1021 121.5939 55.5700 43.3611 174.3584 86 L 4.7973 9.2480 123.3720 53.9455 42.5682 175.7469 87 E 4.4853 8.9044 127.0726 55.5159 30.0658 175.8202 88 R 4.8185 8.6471 125.7692 54.0105 34.7709 174.7278 89 L 4.7068 8.7167 123.7885 55.1425 43.0995 175.8081 90 E 4.6672 9.1643 125.1585 55.2265 33.6245 174.9681 91 E 3.9557 10.1450 124.3124 57.3943 27.8747 176.7839 92 N 4.4131 8.5256 113.4056 54.2454 37.1024 174.7501 93 H 4.7709 7.8865 111.4062 55.1668 31.4590 172.8925 94 Y 4.7576 8.1995 117.2211 56.7450 40.7644 174.0848 95 N 5.5601 9.5060 118.4174 51.9341 41.1795 174.5409 96 T 5.2642 8.9552 112.7784 60.1137 72.7814 172.6804 97 Y 5.0090 8.6321 119.4984 56.6000 41.3706 174.2274 98 I 4.5570 8.6179 126.2304 59.3661 39.3054 175.5699 99 S 3.7171 8.8918 122.9145 58.3532 62.3623 173.9940 100 K 3.9652 8.7979 129.5291 59.3560 32.2703 178.7320 101 K 3.7903 7.8926 118.2650 58.9990 32.3253 176.6978 102 H 4.7473 8.2760 114.3518 54.2102 29.4758 176.1820 103 A 3.9058 7.7213 125.5259 55.3054 18.2505 180.8022 104 E 3.5885 7.8776 112.6934 58.2308 29.6979 178.0783 105 K 4.2653 7.5244 117.4438 55.3696 33.0279 175.6345 106 N 3.9255 7.6319 115.6821 53.9458 36.3591 174.5519 107 W 5.0172 7.5573 117.6518 55.7653 31.1978 177.5149 108 F 5.4896 9.3516 123.4632 55.2826 41.8214 174.6149 109 L 4.4542 9.2349 123.1125 55.0449 43.0986 175.8147 110 G 4.3508 8.5231 110.7455 45.3871 0.0000 171.5648 111 L 5.2648 8.3787 121.2981 52.4808 45.2979 177.2399 112 K 4.3120 8.9861 123.4647 55.4018 32.9675 178.2979 113 K 3.9766 8.4234 119.2640 59.3538 31.9052 177.9599 114 N 4.5535 8.0803 113.8856 52.7085 37.7048 175.8711 115 G 3.4954 8.1510 108.3487 45.2500 0.0000 173.1974 116 S 4.8180 8.0648 114.9788 57.1295 65.0076 173.7748 117 C 4.7694 8.5354 119.6571 59.9466 28.6815 173.4677 118 K 4.3766 8.5963 121.9615 55.5120 33.2648 176.7796 119 R 4.1594 8.6017 122.9185 55.7782 31.0855 177.4997 120 G 3.1274 8.2223 114.7221 48.2526 0.0000 174.2407 121 P 4.3240 0.0000 0.0000 63.9641 31.5015 177.7465 122 R 4.1993 7.9099 116.6948 57.0860 30.4476 176.6240 123 T 5.0064 7.5809 107.9150 60.1974 70.5215 173.5520 124 H 4.7713 7.8232 115.0877 54.8772 30.6241 173.0133 125 Y 3.9634 8.6728 118.8101 59.7822 38.1483 176.6392 126 G 4.1362 9.0219 111.4781 45.7855 0.0000 174.1814 127 Q 4.2365 7.6024 118.5360 55.2564 29.7369 177.1301 128 K 3.8601 8.3081 119.0217 58.6131 32.8337 179.3899 129 A 3.9770 8.0462 121.2227 53.9772 18.3141 178.6058 130 I 4.3501 7.1566 106.1227 60.8520 38.4954 175.4436 131 L 4.3002 7.3168 123.3507 54.0460 42.5407 175.8192 132 F 5.2569 9.2496 122.5676 55.4455 43.2149 174.2604 133 L 5.3064 9.2819 123.7828 52.5779 44.6683 173.7130 134 P 5.1335 0.0000 0.0000 62.9477 31.9616 175.6700 135 L 5.0517 9.3459 125.2502 51.6536 45.0010 174.4190 136 P 4.6211 0.0000 0.0000 62.8921 32.2172 176.4913 137 V 3.7485 8.2093 120.0419 63.2779 31.5192 175.7343 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 *1C H 8.44 4.71 0.00 2.95 3.02 0.00 7.16 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 1D H 8.05 4.38 0.00 3.20 3.28 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.70 5.13 0.00 3.19 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.90 4.63 0.00 3.33 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.42 4.83 0.00 2.88 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 2 N 8.46 4.65 0.00 2.95 2.78 0.00 0.00 6.87 6.74 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 3 L 8.07 4.78 0.00 1.49 1.41 0.60 0.40 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 4 P 0.00 4.58 0.00 2.15 2.19 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 5 P 0.00 4.35 0.00 2.15 2.06 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 8.54 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.20 4.96 0.00 2.69 2.58 0.00 0.00 6.65 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 8 Y 7.40 5.11 0.00 3.01 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 9 K 8.43 4.19 0.00 1.77 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.04 7.81 10 K 7.60 4.80 0.00 1.71 1.72 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.78 0.00 2.06 2.05 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.42 4.93 0.00 1.70 1.89 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.64 7.81 13 L 9.28 5.14 0.00 1.76 1.76 0.68 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.87 4.96 0.00 1.45 1.49 0.13 0.82 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 15 Y 9.25 4.82 0.00 3.40 3.19 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 16 C 8.72 4.11 0.00 2.42 2.41 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 17 S 7.99 3.78 0.00 3.94 3.93 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 18 N 8.11 3.91 0.00 2.50 2.71 0.00 0.00 6.75 7.98 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 19 G 7.56 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 20 G 7.51 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 21 H 6.91 4.89 0.00 2.96 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.15 5.30 0.00 3.09 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 23 L 9.07 4.58 0.00 1.79 1.52 0.89 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.54 5.11 0.00 1.97 2.08 0.00 3.21 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 25 I 8.27 4.94 1.96 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 1.33 1.16 0.96 0.00 0.00 26 L 9.36 4.19 0.00 1.78 1.51 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.12 0.00 2.01 2.12 0.00 3.52 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 28 D 8.01 4.53 0.00 2.79 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 29 G 8.96 4.51 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 0.00 30 T 8.48 4.35 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 1.23 0.00 0.00 31 V 7.94 4.93 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 0.91 0.00 0.00 0.94 0.00 0.00 32 D 8.59 4.58 0.00 2.89 2.76 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 33 G 8.76 4.56 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 34 T 9.03 5.00 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 1.45 0.00 0.00 35 R 8.86 4.28 0.00 1.88 1.97 0.00 3.20 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 36 D 8.20 4.65 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.69 3.68 0.00 1.94 1.92 0.00 3.40 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.00 38 S 8.58 4.46 0.00 3.93 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 39 D 7.69 4.34 0.00 2.79 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 40 Q 8.46 4.27 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.10 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 41 H 9.27 4.80 0.00 3.30 3.40 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.17 4.70 1.96 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 1.06 0.00 0.00 43 Q 7.40 4.57 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 44 F 9.16 5.32 0.00 2.91 2.85 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 45 Q 9.42 4.93 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 46 L 8.74 5.35 0.00 1.86 1.81 0.99 0.99 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 47 S 8.67 4.47 0.00 3.85 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 48 A 7.89 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.09 4.01 0.00 1.63 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 1.62 1.58 0.00 50 S 7.38 4.68 0.00 3.91 3.70 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 51 V 8.32 3.77 2.28 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 0.97 0.00 0.00 1.02 0.00 0.00 52 G 9.17 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 53 E 8.32 5.17 0.00 2.02 1.75 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 2.23 2.27 0.00 54 V 9.05 4.88 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 0.86 0.00 0.00 1.23 0.00 0.00 55 Y 8.58 5.43 0.00 3.03 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 56 I 8.63 4.32 1.58 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.54 0.33 0.00 0.00 57 K 8.80 4.78 0.00 1.17 1.53 0.00 1.31 0.00 0.00 1.07 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.03 0.82 7.81 58 S 8.95 4.34 0.00 3.80 3.65 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 0.00 0.00 0.00 0.00 59 T 8.34 3.85 4.16 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 1.14 0.00 0.00 60 E 8.22 3.97 0.00 1.91 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 2.26 2.35 0.00 61 T 7.83 4.22 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 62 G 8.30 3.86 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 0.00 0.00 0.00 63 Q 7.65 4.44 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 64 Y 9.08 4.94 0.00 2.82 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 65 L 9.03 4.36 0.00 1.51 1.37 0.73 -0.11 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 66 A 8.86 5.03 0.50 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 67 M 8.53 5.32 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 68 D 9.53 5.27 0.00 2.95 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 69 T 8.57 3.98 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 1.27 0.00 0.00 70 D 8.49 4.74 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 71 G 8.58 3.35 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 72 L 8.51 4.51 0.00 2.06 1.64 0.91 0.71 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 73 V 8.32 4.68 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 0.87 0.00 0.00 1.01 0.00 0.00 74 Y 9.43 4.96 0.00 3.02 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 75 G 8.78 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 76 S 9.07 5.05 0.00 3.86 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 77 Q 9.10 4.26 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 78 T 7.52 4.65 4.16 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 1.21 0.00 0.00 79 P 0.00 3.64 0.00 1.42 0.49 0.00 3.47 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.12 0.00 80 N 7.97 4.95 0.00 2.91 2.91 0.00 0.00 6.27 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 81 E 8.76 3.92 0.00 2.03 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 2.38 2.33 0.00 82 E 8.88 4.18 0.00 2.29 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 0.00 2.40 2.35 0.00 83 C 7.98 4.94 0.00 3.21 3.16 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 84 L 7.37 4.61 0.00 1.62 1.46 0.82 0.30 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 85 F 9.10 5.19 0.00 3.14 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 86 L 9.25 4.80 0.00 1.54 1.63 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.90 4.49 0.00 2.20 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 2.21 2.06 0.00 88 R 8.65 4.82 0.00 1.78 1.81 0.00 3.11 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 89 L 8.72 4.71 0.00 1.58 1.67 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.16 4.67 0.00 2.18 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 2.27 2.40 0.00 91 E 10.15 3.96 0.00 2.39 2.09 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 2.29 2.32 0.00 92 N 8.53 4.41 0.00 2.49 2.73 0.00 0.00 6.89 8.16 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 93 H 7.89 4.77 0.00 2.66 2.99 0.00 5.66 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 94 Y 8.20 4.76 0.00 3.05 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 95 N 9.51 5.56 0.00 3.00 2.54 0.00 0.00 6.95 6.92 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 96 T 8.96 5.26 4.49 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 1.36 0.00 0.00 97 Y 8.63 5.01 0.00 2.75 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 98 I 8.62 4.56 1.72 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.75 0.56 0.00 0.00 99 S 8.89 3.72 0.00 3.88 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 0.00 100 K 8.80 3.97 0.00 1.70 1.69 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.31 7.81 101 K 7.89 3.79 0.00 1.59 1.58 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.90 1.24 7.81 102 H 8.28 4.75 0.00 3.09 2.15 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.72 3.91 1.33 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 0.00 104 E 7.88 3.59 0.00 1.83 1.57 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 2.15 2.13 0.00 105 K 7.52 4.27 0.00 1.01 1.40 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.10 7.81 106 N 7.63 3.93 0.00 3.02 3.03 0.00 0.00 6.89 7.15 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 0.00 107 W 7.56 5.02 0.00 3.26 3.05 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 0.00 108 F 9.35 5.49 0.00 2.83 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 0.00 109 L 9.23 4.45 0.00 1.60 1.57 0.75 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.52 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 0.00 111 L 8.38 5.26 0.00 1.47 1.44 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.99 4.31 0.00 1.91 1.69 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 113 K 8.42 3.98 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.37 7.81 114 N 8.08 4.55 0.00 2.79 2.90 0.00 0.00 6.16 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.15 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 0.00 116 S 8.06 4.82 0.00 3.89 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 0.00 117 C 8.54 4.77 0.00 2.89 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 0.00 118 K 8.60 4.38 0.00 1.62 1.68 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.33 7.81 119 R 8.60 4.16 0.00 1.74 1.63 0.00 3.24 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 120 G 8.22 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 1.97 2.22 0.00 2.90 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 1.76 1.90 0.00 122 R 7.91 4.20 0.00 1.83 1.93 0.00 3.28 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 123 T 7.58 5.01 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 1.26 0.00 0.00 124 H 7.82 4.77 0.00 3.38 3.51 0.00 5.47 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 0.00 125 Y 8.67 3.96 0.00 3.16 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 0.00 126 G 9.02 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 0.00 127 Q 7.60 4.24 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 128 K 8.31 3.86 0.00 1.73 1.64 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.25 7.81 129 A 8.05 3.98 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 0.00 130 I 7.16 4.35 1.65 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 1.29 1.03 0.46 0.00 0.00 131 L 7.32 4.30 0.00 0.91 0.57 0.43 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.25 5.26 0.00 3.43 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 0.00 133 L 9.28 5.31 0.00 2.11 1.86 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.13 0.00 2.20 2.19 0.00 3.89 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 2.06 2.13 0.00 135 L 9.35 5.05 0.00 1.70 1.64 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.62 0.00 2.07 2.06 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 137 V 8.21 3.75 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 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.