NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5659 8.3601 120.5307 54.4003 41.5358 173.6223 3 A 4.6220 7.8625 129.1486 47.8731 21.5399 171.3308 4 P 3.9851 0.0000 0.0000 63.6503 31.3237 174.7684 5 R 3.5640 7.5628 123.1685 55.8077 26.4756 177.1580 6 L 4.2953 8.6222 121.6525 55.8266 41.9826 178.6575 7 T 4.2304 7.8781 108.8492 63.0076 69.5713 175.8374 8 G 3.7196 7.8646 107.6942 43.5078 0.0000 170.7513 9 A 3.4881 8.6105 125.1484 51.7553 17.3993 176.4769 10 D 4.1927 9.1872 123.3104 56.9861 42.1669 179.3678 11 R 3.5080 8.6170 121.3915 58.9240 25.7630 172.7444 12 P 3.8684 0.0000 0.0000 61.5076 33.4744 177.5880 13 M 3.2235 8.7891 119.1499 55.7791 30.1444 177.5120 14 S 4.0662 7.7808 113.9218 62.2174 62.5009 171.9452 15 E 4.4537 7.3396 117.5404 54.6302 30.7145 175.6070 16 V 4.4027 7.9095 126.5862 60.7608 34.5311 174.3490 17 A 4.2666 8.4737 128.3926 51.1659 19.6047 176.7196 18 A 4.4652 8.3304 125.7035 49.8131 19.5225 175.4525 19 P 4.3981 0.0000 0.0000 62.3571 32.0781 174.6297 20 P 4.4819 0.0000 0.0000 61.9062 32.1486 176.1249 21 L 3.8392 8.4332 119.3040 55.1572 42.0136 175.7275 22 P 4.5940 0.0000 0.0000 61.9620 32.7526 175.0500 23 E 4.6471 8.2878 118.3770 54.9508 31.6780 175.6980 24 T 4.3036 8.5445 119.2173 64.1979 69.6034 173.8221 25 I 4.2554 8.5349 126.0483 60.7248 37.2981 176.0411 26 T 4.2165 8.5459 123.9326 63.5417 69.3881 174.7546 27 D 4.4111 7.8994 121.7848 53.5264 39.0147 178.2170 28 D 4.8644 8.5875 127.0782 53.8754 39.9986 176.7266 29 R 4.3796 8.5564 119.7924 54.6668 30.7699 177.2971 30 R 4.0552 8.4843 122.3393 56.6147 30.8096 176.6785 31 V 3.8049 8.3443 119.9706 63.4080 32.4095 176.9985 32 G 3.8220 8.3884 107.2552 46.3539 0.0000 172.7750 33 R 4.5604 8.1286 123.6221 54.7105 32.8204 175.1586 34 N 4.9003 8.3756 114.2875 54.1664 40.2707 174.9460 35 Y 4.9588 6.9217 113.3861 54.0683 41.3976 173.4985 36 P 4.3691 0.0000 0.0000 63.8697 31.7286 176.0844 37 E 3.9871 8.7311 116.1302 57.5158 27.2404 174.5192 38 Q 4.1701 7.7926 120.6963 53.4250 29.0484 173.6642 39 P 4.2102 0.0000 0.0000 62.4262 31.3757 174.5231 40 P 4.3025 0.0000 0.0000 62.5861 31.9167 176.1015 41 V 4.0581 7.9546 120.5754 61.9492 32.2798 175.8563 42 I 3.9460 8.7830 127.5707 60.1051 36.6584 175.0672 43 P 4.5386 0.0000 0.0000 63.6621 31.7904 175.1116 44 H 5.0818 7.2887 114.3297 53.9710 31.2411 172.7277 45 S 4.4995 8.4690 113.0080 58.2077 63.6412 173.6777 46 I 3.8706 7.8326 122.2159 63.7971 40.1379 181.0514 47 E 3.1283 8.2745 113.4419 56.9581 29.9116 176.7023 48 G 3.7884 8.8044 120.0422 47.5099 0.0000 173.5936 49 Y 4.4975 8.2832 119.6311 58.2886 38.3780 175.2299 50 Q 4.6782 8.8396 125.4546 54.4380 31.7847 174.1553 51 L 5.0589 8.5343 124.9972 53.3625 43.9025 175.4723 52 S 4.8212 9.4963 119.3609 57.0463 66.0497 174.9039 53 V 3.8988 8.6489 118.8705 65.6784 31.2417 176.5674 54 N 4.7573 7.5765 115.4469 53.5858 39.6998 174.6016 55 A 4.6278 7.7754 119.4769 50.9799 22.2696 175.0076 56 N 4.7986 8.2765 117.9288 50.5011 40.1029 174.5478 57 R 3.8449 8.7525 126.3675 59.5588 30.0207 177.7748 58 C 4.0709 7.4819 116.3747 62.6454 27.9714 175.5607 59 L 4.3732 7.8333 117.6871 56.3219 41.1731 178.6010 60 E 4.1001 7.8105 119.0472 58.3471 29.4896 177.0647 61 C 4.4151 7.7519 114.5095 61.2776 29.8813 173.8464 62 H 4.8353 7.9552 118.5040 54.6126 27.3558 174.7131 63 R 4.7910 7.9597 119.0903 55.1691 33.4192 173.6615 64 R 4.6751 8.7658 119.6357 55.0777 33.0412 176.2923 65 Q 4.6329 8.3377 120.9811 53.8071 31.5773 171.2933 66 Y 4.5059 8.3627 116.7136 57.7968 38.0903 178.0215 67 S 3.8340 10.2533 118.6560 60.1616 62.3645 173.3400 68 G 4.0505 8.5085 114.3454 46.6007 0.0000 174.5508 69 L 4.3242 8.0713 119.0193 53.9121 42.6074 176.2511 70 V 4.2022 8.1566 119.6650 61.0971 33.1638 174.5939 71 A 4.6812 8.1230 128.2102 49.8511 22.4388 174.6429 72 A 4.1769 8.3150 122.7761 50.8851 19.0706 176.1443 73 P 4.3312 0.0000 0.0000 63.2494 31.8259 176.1741 74 M 4.7255 8.2429 119.7665 54.9379 33.4042 175.6486 75 I 4.5919 7.2476 111.2523 59.0914 40.7253 174.6992 76 S 4.3316 8.3972 117.2009 58.0536 63.9092 175.1126 77 I 3.1688 8.0886 122.8516 62.9779 36.2747 178.2051 78 T 4.0294 7.7725 111.1127 64.3012 68.7478 175.1396 79 H 4.6498 8.6397 118.2727 56.7276 28.9931 176.1476 80 F 4.6930 8.5132 120.0965 57.1200 39.5297 175.4901 81 Q 5.4224 7.6417 117.3113 54.8045 29.5530 175.3800 82 D 4.7950 8.3074 121.1592 51.1762 41.5599 175.4871 83 R 3.9971 8.2433 119.0989 58.7095 30.0586 176.1071 84 E 4.0656 8.8787 123.1573 55.2733 26.9759 176.2482 85 G 3.9844 8.4046 106.2466 45.6932 0.0000 174.3672 86 Q 4.1031 7.8237 119.2293 56.3890 30.0997 175.5410 87 M 4.7263 8.4798 122.9279 54.0246 32.7129 175.5451 88 L 4.3005 8.5645 126.4831 54.0404 42.9715 176.7195 89 A 4.3956 8.2459 120.5758 51.6127 18.4270 176.7557 90 D 3.3700 7.3438 118.3354 54.5443 43.4841 176.1245 91 V 3.4879 7.2604 121.3949 63.4579 31.6598 175.8975 92 S 4.5630 8.5731 121.6432 56.7116 64.4018 172.5894 93 P 4.3713 0.0000 0.0000 65.4171 31.3609 177.2411 94 R 4.4186 7.1594 114.5815 57.2969 30.0054 176.7475 95 R 4.3115 8.9735 119.2857 56.4163 28.3571 176.6918 96 Y 4.0901 7.7535 118.3119 60.6438 38.7968 177.2997 97 F 4.1741 8.2058 124.1562 56.6252 38.2169 176.0154 98 C 4.3245 8.5060 124.7344 62.8080 28.2338 176.4645 99 T 4.2495 8.1679 107.8833 64.0347 68.1833 174.7120 100 A 4.2083 7.6712 123.4098 54.3638 18.6600 177.9373 101 C 4.6248 8.6336 112.1092 60.3296 30.5652 173.8429 102 H 4.8502 8.1101 116.4363 54.2492 29.6148 174.9107 103 V 4.5399 8.3329 123.3132 60.4713 34.4740 173.4854 104 P 5.0290 0.0000 0.0000 61.5854 33.5134 174.4875 105 Q 4.7590 8.3696 116.5271 54.6470 33.4292 174.3695 106 T 4.8518 8.3264 110.7213 59.7580 72.2892 173.3600 107 N 4.7352 8.5285 120.3396 52.6562 38.4361 173.8642 108 A 4.6197 8.1125 127.6316 50.2934 22.3080 175.2865 109 Q 4.2952 8.7798 122.1573 54.0963 29.6389 174.3434 110 P 4.2964 0.0000 0.0000 62.9724 31.7770 177.2727 111 L 4.0844 8.4839 121.8973 56.4622 41.9627 177.2418 112 V 4.3670 6.9376 116.3186 61.6901 34.8107 173.0190 113 T 4.0587 8.4546 116.9651 61.4896 69.4640 173.1931 114 N 4.8968 8.5144 122.0216 52.1739 40.0357 174.1199 115 E 4.4494 8.6269 127.2476 56.7621 30.3235 176.6712 116 F 4.4997 8.2536 121.6490 58.5203 40.5408 174.1628 117 R 4.8216 7.7233 123.8140 54.1368 32.6653 175.3638 118 D 4.3325 8.2564 121.3197 54.2831 42.1365 177.1494 119 M 4.0318 8.9012 124.4850 58.2823 32.2174 176.9190 120 L 4.3712 7.6246 117.1976 54.7247 43.2045 176.5399 121 T 3.2992 8.3764 112.2116 61.8053 66.7150 172.0089 122 L 4.4445 7.6155 129.5146 54.7656 42.3103 177.2573 123 M 4.4669 10.6600 118.5684 53.3883 34.6047 174.0892 124 P 4.6952 0.0000 0.0000 62.9971 31.9318 175.9705 125 A 4.2475 8.3722 126.7138 52.6975 19.1242 177.2836 126 S 4.5216 8.4800 114.8407 57.3275 65.8976 172.7499 127 N 4.5340 9.0634 124.1165 55.2714 40.0109 175.3265 *128 E 4.1515 7.9980 116.5426 56.0925 30.5139 177.3118 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 D 8.36 4.57 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 4.62 1.24 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 4 P 0.00 3.99 0.00 2.23 2.27 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 5 R 7.56 3.56 0.00 1.90 2.04 0.00 3.30 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 6 L 8.62 4.30 0.00 1.63 1.73 0.92 1.05 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 7 T 7.88 4.23 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 1.21 0.00 0.00 8 G 7.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 3.49 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 10 D 9.19 4.19 0.00 2.65 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 11 R 8.62 3.51 0.00 1.93 1.99 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 12 P 0.00 3.87 0.00 2.23 2.15 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 13 M 8.79 3.22 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 14 S 7.78 4.07 0.00 3.99 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 0.00 15 E 7.34 4.45 0.00 2.06 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 0.00 2.08 2.04 0.00 16 V 7.91 4.40 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 0.88 0.00 0.00 0.93 0.00 0.00 17 A 8.47 4.27 1.24 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 18 A 8.33 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.40 0.00 2.05 2.02 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 P 0.00 4.48 0.00 2.17 2.04 0.00 3.80 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 1.98 1.98 0.00 21 L 8.43 3.84 0.00 1.65 1.69 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.59 0.00 2.03 2.10 0.00 3.65 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 2.01 2.06 0.00 23 E 8.29 4.65 0.00 2.02 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 0.00 2.28 2.32 0.00 24 T 8.54 4.30 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 1.22 0.00 0.00 25 I 8.53 4.26 1.94 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 1.22 0.67 0.91 0.00 0.00 26 T 8.55 4.22 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 1.21 0.00 0.00 27 D 7.90 4.41 0.00 2.82 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 28 D 8.59 4.86 0.00 2.70 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 R 8.56 4.38 0.00 1.88 1.87 0.00 3.17 0.00 0.00 3.53 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 30 R 8.48 4.06 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 31 V 8.34 3.80 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 0.78 0.00 0.00 0.98 0.00 0.00 32 G 8.39 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 33 R 8.13 4.56 0.00 1.64 1.68 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 34 N 8.38 4.90 0.00 2.98 3.13 0.00 0.00 6.58 7.46 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 35 Y 6.92 4.96 0.00 3.03 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 36 P 0.00 4.37 0.00 2.27 2.12 0.00 3.93 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 37 E 8.73 3.99 0.00 2.17 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 0.00 2.28 2.33 0.00 38 Q 7.79 4.17 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 39 P 0.00 4.21 0.00 2.24 1.98 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 40 P 0.00 4.30 0.00 2.05 2.02 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 41 V 7.95 4.06 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 0.83 0.00 0.00 0.91 0.00 0.00 42 I 8.78 3.95 1.82 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 1.29 0.96 0.76 0.00 0.00 43 P 0.00 4.54 0.00 2.17 2.22 0.00 3.53 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 44 H 7.29 5.08 0.00 3.21 3.62 0.00 5.71 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.47 4.50 0.00 3.78 3.67 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 46 I 7.83 3.87 1.81 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 1.47 0.56 0.92 0.00 0.00 47 E 8.27 3.13 0.00 1.83 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 2.17 2.18 0.00 48 G 8.80 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 0.00 0.00 0.00 49 Y 8.28 4.50 0.00 2.83 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 50 Q 8.84 4.68 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 51 L 8.53 5.06 0.00 1.60 1.34 0.92 0.50 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 52 S 9.50 4.82 0.00 4.01 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 53 V 8.65 3.90 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 0.85 0.00 0.00 1.01 0.00 0.00 54 N 7.58 4.76 0.00 2.97 2.86 0.00 0.00 6.74 7.23 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 55 A 7.78 4.63 1.21 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 56 N 8.28 4.80 0.00 2.14 2.46 0.00 0.00 6.60 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 57 R 8.75 3.84 0.00 1.81 1.71 0.00 3.11 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.86 0.00 58 C 7.48 4.07 0.00 2.98 2.92 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 59 L 7.83 4.37 0.00 1.56 1.69 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.81 4.10 0.00 2.00 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 2.27 2.34 0.00 61 C 7.75 4.42 0.00 2.78 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 62 H 7.96 4.84 0.00 3.17 3.31 0.00 5.66 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 63 R 7.96 4.79 0.00 1.88 2.03 0.00 3.04 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 64 R 8.77 4.68 0.00 1.90 1.50 0.00 2.95 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 65 Q 8.34 4.63 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.21 1.93 0.00 66 Y 8.36 4.51 0.00 3.09 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 0.00 0.00 0.00 67 S 10.25 3.83 0.00 4.09 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 0.00 68 G 8.51 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 0.00 0.00 0.00 69 L 8.07 4.32 0.00 1.59 1.59 0.93 0.96 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 70 V 8.16 4.20 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 0.79 0.00 0.00 0.92 0.00 0.00 71 A 8.12 4.68 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 72 A 8.31 4.18 1.22 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 0.00 0.00 0.00 73 P 0.00 4.33 0.00 2.14 2.00 0.00 3.67 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 1.95 1.95 0.00 74 M 8.24 4.73 0.00 1.88 2.36 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 75 I 7.25 4.59 1.89 0.00 0.00 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 1.71 0.52 0.82 0.00 0.00 76 S 8.40 4.33 0.00 4.05 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 77 I 8.09 3.17 1.65 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.36 0.79 0.00 0.00 78 T 7.77 4.03 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 79 H 8.64 4.65 0.00 3.56 3.56 0.00 5.79 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 80 F 8.51 4.69 0.00 3.14 3.25 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 0.00 0.00 0.00 0.00 81 Q 7.64 5.42 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 82 D 8.31 4.80 0.00 2.83 2.81 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 83 R 8.24 4.00 0.00 1.80 1.92 0.00 3.23 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 84 E 8.88 4.07 0.00 2.07 2.38 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 2.17 2.32 0.00 85 G 8.40 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 86 Q 7.82 4.10 0.00 2.42 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 87 M 8.48 4.73 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.72 0.00 88 L 8.56 4.30 0.00 1.79 1.56 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.25 4.40 1.20 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 90 D 7.34 3.37 0.00 2.44 2.32 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 91 V 7.26 3.49 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 0.94 0.00 0.00 1.02 0.00 0.00 92 S 8.57 4.56 0.00 4.02 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 93 P 0.00 4.37 0.00 2.18 2.06 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 94 R 7.16 4.42 0.00 2.16 1.97 0.00 3.08 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 95 R 8.97 4.31 0.00 2.22 2.55 0.00 3.40 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 96 Y 7.75 4.09 0.00 2.97 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 97 F 8.21 4.17 0.00 3.31 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 98 C 8.51 4.32 0.00 3.01 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 99 T 8.17 4.25 4.30 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 1.27 0.00 0.00 100 A 7.67 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.63 4.62 0.00 2.78 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 0.00 102 H 8.11 4.85 0.00 3.05 3.22 0.00 5.65 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 0.00 103 V 8.33 4.54 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 1.03 0.00 0.00 0.93 0.00 0.00 104 P 0.00 5.03 0.00 2.09 2.05 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 105 Q 8.37 4.76 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 106 T 8.33 4.85 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 1.20 0.00 0.00 107 N 8.53 4.74 0.00 2.78 2.80 0.00 0.00 6.91 7.27 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 0.00 108 A 8.11 4.62 1.19 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 0.00 109 Q 8.78 4.30 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 110 P 0.00 4.30 0.00 2.18 2.00 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 111 L 8.48 4.08 0.00 1.64 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 112 V 6.94 4.37 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 0.70 0.00 0.00 0.94 0.00 0.00 113 T 8.45 4.06 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 1.22 0.00 0.00 114 N 8.51 4.90 0.00 2.72 2.82 0.00 0.00 7.06 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 0.00 115 E 8.63 4.45 0.00 2.03 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 0.00 2.31 2.32 0.00 116 F 8.25 4.50 0.00 3.18 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 0.00 117 R 7.72 4.82 0.00 1.48 1.65 0.00 3.57 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 118 D 8.26 4.33 0.00 2.75 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 0.00 119 M 8.90 4.03 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.68 0.00 120 L 7.62 4.37 0.00 1.59 1.58 0.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.38 3.30 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 1.20 0.00 0.00 122 L 7.62 4.44 0.00 1.61 1.68 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 123 M 10.66 4.47 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 124 P 0.00 4.70 0.00 1.97 2.01 0.00 3.73 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 2.02 2.10 0.00 125 A 8.37 4.25 1.42 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 0.00 126 S 8.48 4.52 0.00 3.94 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 0.00 127 N 9.06 4.53 0.00 2.72 3.06 0.00 0.00 6.98 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 *128 E 8.00 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.