NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3152 8.2644 123.5883 52.1043 19.9621 175.8352 24 S 4.5652 8.3910 115.8975 55.9924 63.8480 172.4332 25 I 4.1276 8.3616 125.1599 62.2197 39.1702 175.7643 26 V 3.3998 7.6012 121.0272 61.8343 31.7137 176.2640 27 G 3.6782 7.5295 113.7622 44.8277 0.0000 170.7242 28 S 4.7087 7.5139 115.4732 56.4647 65.2620 173.5168 29 W 5.1527 8.9007 124.9002 55.0611 31.4199 175.3703 30 V 5.4185 9.2910 117.7823 59.8647 36.1956 174.0304 31 E 5.0578 9.3093 118.9865 54.1850 33.3771 172.9119 32 P 4.7684 0.0000 0.0000 62.7949 32.4891 176.3837 33 V 3.9264 8.6112 123.6589 61.5567 32.4907 173.9165 34 P 4.4169 0.0000 0.0000 64.2870 31.6095 176.9292 35 G 4.0024 8.9643 110.6887 45.2967 0.0000 173.1962 36 L 4.7067 7.3127 118.9583 52.9266 43.5194 176.7113 37 E 4.1450 8.7917 121.3576 59.2819 29.5623 178.4538 38 G 4.1689 7.9621 101.8941 45.1281 0.0000 172.5824 39 Q 4.3840 7.9176 119.3311 55.7356 30.2130 175.3125 40 V 5.1217 8.2780 113.9820 59.7334 35.5171 174.8099 41 Q 4.7569 9.7064 119.9832 54.2752 32.3702 175.3441 42 G 4.2434 7.6078 106.4428 46.4949 0.0000 171.4392 43 I 4.8436 7.8747 122.3477 59.5912 41.2490 175.7409 44 K 4.4723 8.8662 129.0307 55.0340 35.0738 174.5522 *46 E 4.5370 8.3966 118.9763 55.7367 31.1948 175.7881 47 E 4.2795 8.9332 120.7547 58.7910 29.9192 177.9691 48 G 3.8712 8.6629 111.1691 44.8269 0.0000 174.3454 49 G 3.2027 8.1505 107.9068 43.4440 0.0000 173.3706 50 V 4.1866 7.5556 119.8448 62.6618 32.0960 174.9634 51 A 5.4589 8.7165 129.3427 50.4372 21.9538 175.2621 52 S 5.1231 8.8184 113.3301 56.2341 67.0390 173.5988 53 S 4.8697 8.8332 117.0990 58.6000 64.0514 174.0762 54 V 3.9837 8.9635 124.0885 61.8764 32.7494 173.1364 55 N 4.5520 8.7476 127.0031 53.6969 35.0706 173.5511 *57 A 4.4613 8.0148 122.5158 52.3193 21.1085 178.6841 58 T 4.1005 7.9253 111.8739 65.8567 69.8195 174.6010 59 L 4.9541 7.9489 121.0909 53.0520 43.6027 176.6990 60 V 4.3059 8.7359 125.3542 61.1306 32.8858 174.1572 61 Y 4.3632 8.9068 126.2497 58.0631 38.7965 176.3954 62 E 4.6945 9.6342 121.1755 57.5035 33.2376 175.9488 63 S 5.3670 7.8856 111.5434 57.0041 66.3950 173.3652 64 W 5.8327 8.9927 117.4879 55.1305 32.0039 174.0486 65 K 4.2140 9.2552 119.9866 54.8652 36.4540 175.0709 66 Q 5.0184 8.9040 125.6796 54.8253 30.5642 174.9369 67 E 4.5003 9.1105 128.4706 55.2400 30.8966 177.2955 68 G 3.8787 8.2018 117.0298 47.2584 0.0000 172.9703 69 T 4.5062 8.5746 114.6631 60.8607 69.0426 173.1761 70 K 4.8756 8.0130 121.5416 55.0432 34.8301 174.7971 71 L 5.2139 8.4583 125.1767 53.3970 44.9504 174.7256 72 I 4.9237 9.2654 127.5338 59.7536 39.6720 174.3764 73 L 5.4214 9.2342 128.1555 53.2800 44.3786 175.8092 74 T 4.8165 8.6056 120.2783 62.1571 71.9739 174.0587 75 G 3.3467 7.2376 110.2966 45.9828 0.0000 171.9510 76 K 5.1639 8.0740 117.7585 55.5486 36.4203 175.2607 77 S 5.3924 9.3189 116.4836 56.8296 65.8923 172.8381 78 I 4.9054 8.4368 122.3813 59.1596 39.8486 175.5745 79 G 4.0379 9.2000 115.4854 46.6119 0.0000 172.4470 80 N 4.2610 9.5156 115.9106 54.0952 35.9557 174.8943 81 G 3.9776 8.5389 102.5679 46.4371 0.0000 173.8394 82 Q 4.6581 8.0555 117.2116 54.2245 33.0955 173.8313 83 T 5.1347 8.2539 114.5411 61.9676 72.1819 173.8479 84 I 4.5741 8.6744 125.7258 59.4943 40.3249 174.9287 85 E 4.7367 8.9231 127.0637 56.2002 30.5438 175.9944 86 F 5.1100 8.8690 117.0259 55.5084 42.2738 173.5983 87 V 4.9298 8.5215 118.5785 61.6515 34.2337 173.7921 88 D 5.1418 9.8936 128.4190 52.9840 43.2683 175.7668 89 T 5.2352 8.4218 119.2464 61.1679 71.5471 173.6058 *91 D 4.4105 8.3351 121.9027 54.4167 42.7819 174.6899 92 I 4.2843 8.7947 124.6085 60.6397 37.1658 175.8262 93 K 4.3261 9.2036 127.7487 57.9485 33.3741 177.5523 94 R 4.6108 7.5795 119.0160 54.8153 33.8195 174.0201 95 L 4.9362 8.4111 127.9758 54.2644 44.3682 174.4417 96 T 4.7601 9.1261 116.5870 59.3386 72.0414 174.5414 97 A 4.0819 8.7657 123.1940 54.6881 18.4619 177.9345 98 D 4.9692 7.8934 113.3398 54.1242 43.0648 175.5073 99 S 5.3637 8.3636 113.5225 56.5772 66.5184 172.3531 100 L 4.7506 8.7319 127.4132 53.1113 45.0375 174.9606 101 V 4.8287 8.8194 126.5304 61.0501 34.2639 174.1622 102 L 5.2828 8.8973 127.2841 53.0282 45.3464 174.9711 103 D 4.9527 8.9743 120.9818 52.5847 44.4239 174.2695 104 N 4.7509 8.6795 123.1261 52.7284 41.1747 174.1151 105 Q 3.1023 9.8807 127.4003 57.0518 26.9167 175.2873 106 G 3.7264 8.1878 103.5649 45.9225 0.0000 172.7467 *108 E 4.4416 7.3945 117.3894 56.6383 31.5619 176.4807 109 I 4.5328 8.5315 121.2987 59.4020 41.9777 173.4919 110 R 4.9673 8.3816 128.3151 54.7655 32.2942 174.2751 111 Y 5.1279 9.1245 123.0387 56.2149 41.9587 174.2646 112 A 5.3831 9.0991 123.2360 49.8696 22.2045 175.9643 113 K 3.6624 8.6240 123.3510 56.1563 32.8439 176.7331 114 Q 4.1333 8.5236 128.4041 56.3370 28.5962 175.3486 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 23 A 8.26 4.32 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 24 S 8.39 4.57 0.00 3.96 3.79 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 25 I 8.36 4.13 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.67 0.56 0.00 0.00 26 V 7.60 3.40 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 0.84 0.00 0.00 1.10 0.00 0.00 27 G 7.53 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 28 S 7.51 4.71 0.00 3.60 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 29 W 8.90 5.15 0.00 2.78 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 30 V 9.29 5.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.02 0.00 0.00 31 E 9.31 5.06 0.00 1.93 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 0.00 2.48 2.32 0.00 32 P 0.00 4.77 0.00 1.96 2.03 0.00 3.66 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 2.02 2.09 0.00 33 V 8.61 3.93 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 0.95 0.00 0.00 0.97 0.00 0.00 34 P 0.00 4.42 0.00 2.08 1.99 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 35 G 8.96 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 0.00 0.00 0.00 0.00 36 L 7.31 4.71 0.00 1.78 1.82 0.93 0.98 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 37 E 8.79 4.15 0.00 1.96 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 2.32 2.25 0.00 38 G 7.96 4.17 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 39 Q 7.92 4.38 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 40 V 8.28 5.12 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 0.76 0.00 0.00 0.94 0.00 0.00 41 Q 9.71 4.76 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 42 G 7.61 4.24 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 0.00 0.00 0.00 43 I 7.87 4.84 1.47 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 0.37 0.46 0.62 0.00 0.00 44 K 8.87 4.47 0.00 1.76 1.69 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.34 7.81 *46 E 8.40 4.54 0.00 2.15 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 2.34 2.43 0.00 47 E 8.93 4.28 0.00 2.03 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 2.41 2.34 0.00 48 G 8.66 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 49 G 8.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.19 2.17 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 0.86 0.00 0.00 0.95 0.00 0.00 51 A 8.72 5.46 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 52 S 8.82 5.12 0.00 3.92 3.97 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 53 S 8.83 4.87 0.00 3.90 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 54 V 8.96 3.98 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 0.97 0.00 0.00 0.94 0.00 0.00 55 N 8.75 4.55 0.00 3.06 2.86 0.00 0.00 7.09 7.35 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 *57 A 8.01 4.46 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 58 T 7.93 4.10 4.27 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 0.00 0.00 1.30 0.00 0.00 59 L 7.95 4.95 0.00 1.64 1.69 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.74 4.31 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 0.98 0.00 0.00 0.98 0.00 0.00 61 Y 8.91 4.36 0.00 3.08 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 62 E 9.63 4.69 0.00 1.86 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 2.18 2.30 0.00 63 S 7.89 5.37 0.00 3.87 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 64 W 8.99 5.83 0.00 3.48 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 65 K 9.26 4.21 0.00 1.66 1.60 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.11 1.21 7.81 66 Q 8.90 5.02 0.00 2.43 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 67 E 9.11 4.50 0.00 2.07 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 2.22 2.23 0.00 68 G 8.20 3.88 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 0.00 0.00 0.00 69 T 8.57 4.51 4.24 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 1.22 0.00 0.00 70 K 8.01 4.88 0.00 1.91 1.75 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.36 7.81 71 L 8.46 5.21 0.00 1.75 1.51 1.13 0.86 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 72 I 9.27 4.92 1.92 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 1.26 0.60 0.96 0.00 0.00 73 L 9.23 5.42 0.00 1.85 2.00 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.61 4.82 4.22 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 0.00 0.00 0.00 1.07 0.00 0.00 75 G 7.24 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 76 K 8.07 5.16 0.00 1.87 1.90 0.00 1.23 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.35 7.81 77 S 9.32 5.39 0.00 3.90 4.05 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 78 I 8.44 4.91 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 1.18 0.97 0.98 0.00 0.00 79 G 9.20 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 80 N 9.52 4.26 0.00 2.89 2.92 0.00 0.00 6.93 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 81 G 8.54 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 82 Q 8.06 4.66 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 83 T 8.25 5.13 4.24 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 1.20 0.00 0.00 84 I 8.67 4.57 1.93 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 1.25 0.84 0.96 0.00 0.00 85 E 8.92 4.74 0.00 1.84 1.80 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 2.28 2.21 0.00 86 F 8.87 5.11 0.00 3.01 3.07 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 87 V 8.52 4.93 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 0.89 0.00 0.00 0.93 0.00 0.00 88 D 9.89 5.14 0.00 2.78 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 89 T 8.42 5.24 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 1.24 0.00 0.00 *91 D 8.34 4.41 0.00 2.74 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 92 I 8.79 4.28 1.92 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 1.15 0.55 0.81 0.00 0.00 93 K 9.20 4.33 0.00 1.54 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.66 7.81 94 R 7.58 4.61 0.00 1.81 1.66 0.00 3.14 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 95 L 8.41 4.94 0.00 1.50 1.46 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.13 4.76 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 97 A 8.77 4.08 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 98 D 7.89 4.97 0.00 2.67 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 99 S 8.36 5.36 0.00 3.94 3.69 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 0.00 100 L 8.73 4.75 0.00 0.27 0.54 0.46 -0.30 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 0.00 101 V 8.82 4.83 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 0.94 0.00 0.00 nan 0.00 0.00 102 L 8.90 5.28 0.00 1.61 1.51 0.95 0.91 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 0.00 103 D 8.97 4.95 0.00 2.59 2.46 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 0.00 104 N 8.68 4.75 0.00 2.68 2.66 0.00 0.00 7.39 7.08 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 0.00 105 Q 9.88 3.10 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.29 1.91 0.00 106 G 8.19 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 *108 E 7.39 4.44 0.00 1.86 1.90 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 2.32 2.34 0.00 109 I 8.53 4.53 1.76 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.43 0.88 0.00 0.00 110 R 8.38 4.97 0.00 1.76 1.68 0.00 3.21 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 111 Y 9.12 5.13 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 0.00 112 A 9.10 5.38 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 0.00 113 K 8.62 3.66 0.00 1.17 1.52 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.13 1.01 7.81 114 Q 8.52 4.13 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.32 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.