NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1684 8.1429 122.4738 54.8432 43.1036 178.0267 5 E 3.7697 8.7125 119.7649 56.8948 30.0424 175.3034 6 N 4.8390 8.0180 112.5105 53.8979 41.8493 174.3667 7 C 3.8894 7.4371 118.2578 60.0204 32.3734 174.4268 8 V 3.6340 8.2372 127.6987 65.9614 31.1508 177.8703 9 F 4.5488 7.7755 117.3603 60.6067 38.8825 177.2230 10 C 4.1965 8.2370 115.9647 62.8338 28.0008 176.0337 11 K 3.9531 7.9620 119.4574 59.6800 31.7880 179.4239 12 I 3.7584 7.8275 119.8884 64.5044 36.8015 178.6498 13 I 3.8084 7.8132 119.7412 64.0690 37.0413 177.8617 14 K 4.2381 8.4780 116.4778 56.0192 32.0012 177.0784 15 R 3.8897 7.5226 116.7819 57.5235 27.8205 176.8481 16 E 4.4239 8.6740 116.8473 56.7553 30.1563 176.4922 17 L 4.8273 7.3490 117.7058 51.9376 45.7096 174.2627 18 P 4.5223 0.0000 0.0000 62.9151 32.1613 175.0218 19 S 4.4413 7.7534 111.7638 58.0815 65.2121 174.3931 20 T 4.3680 8.0339 116.9936 61.8045 70.8350 173.3125 21 I 4.6194 8.0796 127.6013 60.0388 38.1946 175.1221 22 Y 4.6695 9.0588 125.3454 59.1977 39.3432 175.5765 23 Y 4.8103 7.7944 118.7913 56.6230 42.3843 173.1793 24 E 4.9223 7.4354 124.7628 55.1723 32.8336 173.9514 25 D 4.4806 8.1933 123.4455 52.4661 41.8283 174.5287 26 E 4.1507 8.7818 115.5305 58.6681 30.3122 177.3260 27 R 4.5978 8.9514 119.6301 57.4970 32.1956 176.7133 28 V 5.0375 7.9490 116.2284 60.0151 35.4696 174.0758 29 I 5.1908 9.1648 121.4904 59.2524 41.8861 173.6870 30 A 5.2796 9.6048 130.9051 50.2627 21.2228 175.2049 31 I 5.5376 8.3104 115.3561 57.8355 41.4797 174.9315 32 K 4.5661 8.3732 124.6496 56.3217 32.7123 175.9911 33 D 4.4642 8.8579 128.2637 54.1319 41.1478 176.4132 34 I 3.8481 8.5917 125.4356 63.3527 38.5596 175.4514 35 N 4.9646 8.5826 118.3703 50.4785 38.5465 170.7259 36 P 4.3804 0.0000 0.0000 62.5264 32.1446 177.4529 37 A 4.2307 9.0180 124.4590 53.3285 18.9933 176.3491 38 A 4.6827 7.4591 116.5557 50.0061 22.1778 174.4457 39 P 4.2884 0.0000 0.0000 64.8706 31.6638 177.0641 40 V 4.2837 8.0618 118.9916 61.2853 33.5705 174.5943 41 H 5.2565 8.7895 127.6406 54.7986 32.6806 171.6150 42 V 4.9460 9.1428 126.4838 61.0104 34.9032 174.0031 43 L 4.9635 8.9076 127.4773 53.3602 43.8273 175.4375 44 I 4.5461 9.1203 125.9006 59.9407 38.9523 174.7674 45 I 5.0809 8.5463 129.1123 58.4098 40.1046 173.5643 46 P 4.8216 0.0000 0.0000 62.6165 31.2924 176.8344 47 K 4.1834 9.0729 124.1477 59.2342 32.6446 177.5556 48 E 4.0910 8.1673 120.3440 56.1449 30.1389 176.4453 49 H 4.1445 8.5867 126.0641 55.1369 28.6272 172.8329 50 I 4.3119 7.4751 124.7305 58.8734 38.8458 176.9579 51 A 4.2615 9.0513 127.8354 54.4059 18.7163 176.4973 52 N 4.3853 7.3672 110.4223 52.7635 39.6584 175.3973 53 V 3.7664 7.8690 110.4069 64.0785 31.7210 178.6508 54 K 4.0585 7.8124 120.1735 58.6381 32.0673 177.0649 55 E 4.4701 7.8797 116.2526 56.1395 29.7838 176.1538 56 I 4.1830 7.3097 121.2580 61.0909 37.7790 174.9152 57 N 5.0327 9.9232 123.9039 51.6741 40.5987 175.3872 58 E 3.9433 8.9637 113.6081 59.2551 29.4098 175.0701 59 S 4.2934 7.8026 113.0887 61.2431 63.5546 175.6191 60 N 4.5455 8.4590 119.0700 53.3861 37.5792 176.6272 61 A 4.0750 8.4329 126.6401 55.9479 18.3897 179.9525 62 Q 4.0325 8.2127 118.8198 60.3902 28.0098 183.1493 63 I 4.7191 7.9009 120.0040 63.7516 37.9165 177.8214 64 L 4.0907 7.8473 119.6294 57.8297 41.2935 179.5494 65 I 3.7589 7.6679 119.3124 64.1924 37.0492 178.1259 66 D 4.2881 7.9875 119.2256 57.4661 40.7359 178.2892 67 I 3.5373 8.0123 120.5561 65.2139 37.1794 178.2520 68 H 4.0696 8.1962 116.4506 58.4110 28.3785 177.9803 69 K 3.8388 8.2669 121.6254 59.2449 32.0232 178.6952 70 A 3.3441 8.0669 121.1351 54.9027 18.2931 179.1070 71 A 3.7854 8.0567 119.6577 55.6257 18.5042 179.6650 72 N 4.1480 8.0320 114.5620 56.2068 38.5459 177.6066 73 K 3.8224 8.0497 121.2096 59.5362 32.2857 179.0285 74 V 3.4526 8.0389 118.6975 65.8269 31.2939 177.8002 75 A 3.7312 7.6887 120.5706 54.8628 18.0230 179.5039 76 E 3.8326 7.8595 116.5630 59.7384 29.3887 179.2949 77 D 4.2876 7.9176 117.4006 57.4034 40.9317 177.5691 78 L 4.1746 8.1560 116.3776 54.3711 41.5061 177.0815 79 G 3.8646 7.8997 106.7681 46.5435 0.0000 174.6748 80 I 4.3083 7.8889 111.5766 59.9355 38.6742 177.0940 81 A 3.9277 8.3716 126.9276 56.4428 18.3916 179.5924 82 E 4.1894 8.2623 109.6729 59.1093 30.1393 180.3571 83 K 4.0756 8.0651 118.0617 59.4345 32.3044 176.6327 84 G 4.2312 7.1206 102.9265 43.8289 0.0000 171.9509 85 Y 4.9913 7.3374 116.8660 55.9356 41.0315 173.5577 86 R 4.6962 8.9998 120.5419 54.5512 32.9763 174.2754 87 L 5.5152 8.6030 125.0412 53.1745 44.2740 175.8708 88 I 4.6984 8.9519 123.5656 59.8625 41.1295 174.4384 89 T 4.5908 8.3938 122.4183 61.6105 71.3298 173.1753 90 N 4.8981 8.4805 121.5927 51.6111 41.2545 174.2664 91 C 4.3747 8.2486 120.8617 59.4152 33.8215 174.4635 92 G 4.0922 8.9686 114.9444 44.6129 0.0000 173.7616 93 V 3.7255 8.2478 116.6475 64.3406 31.7085 178.4526 94 A 3.9172 8.1536 122.4929 54.7773 18.2938 177.6668 95 A 4.3475 8.0481 115.7375 51.5743 18.9714 176.9923 96 G 3.8539 7.8152 104.3032 46.7322 0.0000 174.2765 97 Q 4.0142 7.9536 121.3788 55.6826 29.4053 175.1351 98 T 4.0426 8.2615 115.1458 62.2664 70.4569 175.0092 99 V 3.8090 7.0958 115.2275 59.5516 32.9267 176.5548 100 F 4.6751 8.2498 127.8201 57.0204 38.6043 175.6847 101 H 5.0557 7.6592 118.7257 53.8553 32.7295 171.9851 102 L 4.2195 9.0708 129.7184 56.5002 42.1931 175.9487 103 H 5.2766 8.6559 119.6264 54.8133 31.6080 172.0776 104 Y 4.7277 8.9692 118.2440 56.7561 40.5648 174.4804 105 H 5.0543 9.5854 121.5455 55.0532 30.6980 173.9081 106 L 5.1709 9.5052 125.9808 53.3640 44.2930 174.9013 107 L 5.2730 8.6687 126.2769 53.3426 45.5117 176.3746 108 G 4.2136 9.2223 108.9793 46.5660 0.0000 174.3446 109 G 4.2110 10.3005 108.9495 45.3933 0.0000 173.5811 110 V 4.4823 7.0720 116.6801 60.0247 34.1610 174.0966 111 D 4.4514 8.3912 121.5108 53.8507 41.6465 175.7133 *113 G 3.7696 8.0809 109.0094 45.2009 0.0000 170.6620 114 P 4.4990 0.0000 0.0000 63.0280 32.0024 176.0847 115 K 4.1522 7.9727 120.1116 56.3841 32.1730 176.5578 116 I 4.3314 8.2343 116.3672 60.5881 38.6815 175.3334 117 L 4.0560 7.5725 128.0382 55.7273 41.8323 174.5924 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 4 L 8.14 4.17 0.00 1.31 1.40 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.71 3.77 0.00 2.11 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 2.23 1.96 0.00 6 N 8.02 4.84 0.00 2.67 2.87 0.00 0.00 6.87 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 7 C 7.44 3.89 0.00 3.08 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 8 V 8.24 3.63 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 1.02 0.00 0.00 0.84 0.00 0.00 9 F 7.78 4.55 0.00 2.89 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 10 C 8.24 4.20 0.00 3.18 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 11 K 7.96 3.95 0.00 2.04 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.66 1.63 7.81 12 I 7.83 3.76 2.09 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 1.55 1.21 0.89 0.00 0.00 13 I 7.81 3.81 2.03 0.00 0.00 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 1.52 0.58 0.93 0.00 0.00 14 K 8.48 4.24 0.00 1.80 1.90 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.61 7.81 15 R 7.52 3.89 0.00 2.00 2.02 0.00 3.29 0.00 0.00 3.48 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 16 E 8.67 4.42 0.00 1.99 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 0.00 2.30 2.42 0.00 17 L 7.35 4.83 0.00 1.58 1.51 0.98 1.05 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 18 P 0.00 4.52 0.00 2.16 2.04 0.00 3.80 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 1.98 1.94 0.00 19 S 7.75 4.44 0.00 3.86 3.80 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 20 T 8.03 4.37 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 0.85 0.00 0.00 21 I 8.08 4.62 1.75 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 1.25 0.45 0.89 0.00 0.00 22 Y 9.06 4.67 0.00 2.84 2.95 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 0.00 0.00 0.00 23 Y 7.79 4.81 0.00 3.08 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 24 E 7.44 4.92 0.00 1.78 1.55 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 2.08 2.22 0.00 25 D 8.19 4.48 0.00 2.73 2.45 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 26 E 8.78 4.15 0.00 2.10 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 2.29 2.28 0.00 27 R 8.95 4.60 0.00 1.92 2.04 0.00 3.26 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 28 V 7.95 5.04 2.14 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 1.05 0.00 0.00 1.02 0.00 0.00 29 I 9.16 5.19 1.86 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 1.11 1.85 0.93 0.00 0.00 30 A 9.60 5.28 1.35 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 31 I 8.31 5.54 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.62 0.81 0.00 0.00 32 K 8.37 4.57 0.00 1.80 1.75 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.62 7.81 33 D 8.86 4.46 0.00 2.47 2.33 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 34 I 8.59 3.85 1.89 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 1.31 0.93 0.93 0.00 0.00 35 N 8.58 4.96 0.00 2.61 2.66 0.00 0.00 7.19 7.39 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 36 P 0.00 4.38 0.00 2.44 2.11 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 37 A 9.02 4.23 1.29 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 38 A 7.46 4.68 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 39 P 0.00 4.29 0.00 2.05 2.15 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 40 V 8.06 4.28 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 0.89 0.00 0.00 0.86 0.00 0.00 41 H 8.79 5.26 0.00 3.21 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 9.14 4.95 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 1.06 0.00 0.00 0.84 0.00 0.00 43 L 8.91 4.96 0.00 1.40 1.32 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.12 4.55 1.88 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 1.39 1.04 0.88 0.00 0.00 45 I 8.55 5.08 1.69 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.36 0.81 0.00 0.00 46 P 0.00 4.82 0.00 2.15 2.13 0.00 4.18 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 2.13 2.11 0.00 47 K 9.07 4.18 0.00 1.77 1.97 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.43 7.81 48 E 8.17 4.09 0.00 1.96 1.88 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 0.00 2.31 2.32 0.00 49 H 8.59 4.14 0.00 3.15 3.23 0.00 5.96 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 50 I 7.48 4.31 1.89 0.00 0.00 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 1.36 0.78 0.99 0.00 0.00 51 A 9.05 4.26 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 52 N 7.37 4.39 0.00 2.93 3.12 0.00 0.00 6.27 7.68 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 53 V 7.87 3.77 2.13 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 0.90 0.00 0.00 0.92 0.00 0.00 54 K 7.81 4.06 0.00 1.72 2.03 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.43 7.81 55 E 7.88 4.47 0.00 2.14 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 2.53 2.43 0.00 56 I 7.31 4.18 2.07 0.00 0.00 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 1.41 0.81 1.00 0.00 0.00 57 N 9.92 5.03 0.00 2.85 2.90 0.00 0.00 6.80 8.25 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 58 E 8.96 3.94 0.00 2.01 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 0.00 2.24 1.89 0.00 59 S 7.80 4.29 0.00 3.98 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 60 N 8.46 4.55 0.00 3.03 3.12 0.00 0.00 7.01 6.79 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 61 A 8.43 4.07 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 62 Q 8.21 4.03 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 63 I 7.90 4.72 1.90 0.00 0.00 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 1.58 0.83 1.03 0.00 0.00 64 L 7.85 4.09 0.00 1.86 1.72 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.67 3.76 2.03 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 1.49 0.59 0.89 0.00 0.00 66 D 7.99 4.29 0.00 2.84 2.73 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 67 I 8.01 3.54 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.23 0.00 0.00 68 H 8.20 4.07 0.00 3.21 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.27 3.84 0.00 1.79 1.89 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.36 7.81 70 A 8.07 3.34 1.12 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 71 A 8.06 3.79 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 72 N 8.03 4.15 0.00 2.91 2.84 0.00 0.00 6.73 6.24 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 73 K 8.05 3.82 0.00 1.71 1.68 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.39 7.81 74 V 8.04 3.45 1.94 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 0.76 0.00 0.00 0.97 0.00 0.00 75 A 7.69 3.73 0.60 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 0.00 0.00 76 E 7.86 3.83 0.00 2.17 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 0.00 2.39 2.46 0.00 77 D 7.92 4.29 0.00 2.72 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 78 L 8.16 4.17 0.00 1.45 1.48 -0.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.90 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 80 I 7.89 4.31 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.55 0.91 0.00 0.00 81 A 8.37 3.93 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 82 E 8.26 4.19 0.00 2.00 1.87 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 2.23 1.90 0.00 83 K 8.07 4.08 0.00 2.02 1.92 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.44 1.01 7.81 84 G 7.12 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 0.00 0.00 0.00 0.00 85 Y 7.34 4.99 0.00 3.07 2.88 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 0.00 0.00 0.00 0.00 86 R 9.00 4.70 0.00 1.90 1.81 0.00 3.04 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 87 L 8.60 5.52 0.00 1.68 1.79 1.01 0.91 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 88 I 8.95 4.70 1.88 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 1.24 0.99 0.87 0.00 0.00 89 T 8.39 4.59 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 0.86 0.00 0.00 90 N 8.48 4.90 0.00 2.62 2.73 0.00 0.00 6.66 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 91 C 8.25 4.37 0.00 2.84 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 92 G 8.97 4.09 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 0.00 0.00 0.00 93 V 8.25 3.73 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 0.76 0.00 0.00 0.98 0.00 0.00 94 A 8.15 3.92 1.32 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 0.00 0.00 0.00 95 A 8.05 4.35 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 96 G 7.82 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 97 Q 7.95 4.01 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 98 T 8.26 4.04 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 1.18 0.00 0.00 99 V 7.10 3.81 1.35 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 0.38 0.00 0.00 0.50 0.00 0.00 100 F 8.25 4.68 0.00 3.12 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 0.00 101 H 7.66 5.06 0.00 3.08 3.17 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 9.07 4.22 0.00 1.80 1.71 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.66 5.28 0.00 3.10 3.20 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.97 4.73 0.00 2.92 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 0.00 105 H 9.59 5.05 0.00 3.06 3.26 0.00 5.57 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.51 5.17 0.00 1.71 1.68 0.75 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.67 5.27 0.00 1.62 1.49 0.87 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 108 G 9.22 4.21 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 0.00 109 G 10.30 4.21 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 0.00 110 V 7.07 4.48 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 0.74 0.00 0.00 0.93 0.00 0.00 111 D 8.39 4.45 0.00 2.69 2.64 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 *113 G 8.08 3.77 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 0.00 0.00 0.00 114 P 0.00 4.50 0.00 2.18 2.16 0.00 3.76 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 1.93 1.96 0.00 115 K 7.97 4.15 0.00 2.02 1.79 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 0.99 7.81 116 I 8.23 4.33 1.86 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 1.29 0.62 0.90 0.00 0.00 117 L 7.57 4.06 0.00 1.55 1.49 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.