NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4779 8.1749 117.3743 63.4639 70.0641 172.8495 2 S 4.6402 9.8709 122.2021 54.9237 66.1205 171.5956 3 I 5.3066 8.2285 118.2683 59.4968 41.0168 173.9955 4 M 4.9616 9.0260 120.5511 54.2634 35.1760 173.3827 5 A 5.0958 8.3996 120.6081 50.4414 22.2746 175.5030 6 V 4.5093 8.8960 123.1140 61.1548 34.4502 174.7380 7 T 4.7615 8.6699 118.4421 60.7846 70.2990 173.7479 8 F 4.9924 8.4478 119.0951 54.6955 41.3128 174.7606 9 K 3.7037 9.1525 120.8013 60.0986 31.5119 177.2483 10 D 4.6083 7.4064 114.0994 53.7105 42.8381 177.6073 11 G 4.4576 5.3800 111.3323 45.4380 0.0000 175.9343 12 V 5.1066 8.0910 118.7169 60.3605 33.8672 172.6967 13 I 4.6739 8.8994 122.3151 59.6224 40.7882 174.2402 14 L 5.0739 8.5938 125.8855 53.0931 43.8108 176.0456 15 G 4.3490 9.1301 109.2198 44.9341 0.0000 171.0764 16 A 5.7386 8.5013 120.9975 51.8868 22.2751 175.9008 17 D 4.8184 8.4773 119.6301 52.0237 42.4046 176.1032 18 S 4.9283 8.2971 111.3546 57.2656 64.2837 172.9269 19 R 5.1165 8.5597 121.4762 55.7822 31.4846 175.0687 20 T 4.8473 8.7499 116.9204 60.1020 71.4952 173.2771 21 T 5.2355 8.4352 113.4362 60.3584 72.9100 173.9870 22 T 4.4334 8.6205 111.9973 60.7422 70.5682 174.4442 23 G 3.8528 8.3493 120.3805 47.2169 0.0000 173.2145 24 A 4.4012 8.6748 126.8959 52.1118 19.5670 176.4272 25 Y 4.4160 7.8171 118.4515 56.6109 39.5498 174.7597 26 I 4.2961 7.3934 128.0353 59.7200 36.2863 175.3523 27 A 4.0198 8.1010 129.8151 54.5289 18.7439 177.6685 28 N 4.8410 7.8175 112.8374 52.5673 42.1211 174.7102 29 R 4.5275 8.5748 120.4398 56.2426 30.6511 176.4756 30 V 4.5281 8.0317 112.6060 61.2603 32.6504 176.2512 31 T 3.9703 8.1597 117.0518 64.0389 69.7743 173.3802 32 D 4.9705 8.6407 124.4585 52.8374 42.2271 175.6101 33 K 4.3554 8.6914 124.6051 56.6629 33.6280 176.3590 34 L 4.7130 8.3237 121.5129 53.9799 42.1055 175.8687 35 T 4.5658 8.8192 121.5128 61.5929 71.2027 173.9000 36 R 3.3385 7.8404 126.0964 55.1265 30.2765 176.2662 37 V 4.1507 7.8341 118.8052 61.6302 33.0357 174.4995 38 H 4.5065 7.5453 117.8682 55.2155 32.5490 173.6765 39 D 4.6033 8.4763 121.4698 57.3447 40.5588 179.6333 40 K 5.0535 8.1357 117.0602 56.2931 34.1056 175.5685 41 I 5.0741 8.2348 120.6894 59.7530 40.5958 174.9656 42 W 5.3202 9.5807 126.9161 54.9182 33.5283 174.0237 43 C 5.3467 9.4653 114.8536 57.3726 33.3466 172.5590 44 C 5.3415 9.1437 117.3826 58.1270 30.5417 173.2531 45 R 5.0331 8.5236 123.1251 54.6289 31.6069 175.9743 46 S 4.5318 8.8632 116.6659 57.3433 66.6285 173.0037 47 G 4.4455 8.9397 105.6478 44.1188 0.0000 174.2972 48 S 4.1530 9.4138 118.8227 58.0198 63.1180 175.0431 49 A 3.9745 8.8589 129.6302 55.1961 18.3340 179.2954 50 A 3.9465 8.0059 118.8215 55.5070 18.3794 179.4618 51 D 4.3092 8.3212 117.5226 57.8353 40.9449 179.1592 52 T 3.9535 8.0787 110.2997 64.8489 68.6237 176.4771 53 Q 3.9543 8.4754 120.8342 58.7246 28.9362 178.3603 54 A 3.9837 8.0230 121.6683 55.3185 18.2927 179.7381 55 I 3.6045 8.1574 118.1384 64.4335 37.1845 178.3248 56 A 4.0141 8.4188 121.8844 55.6059 18.1452 179.1724 57 D 4.3414 8.7000 117.4683 57.8230 40.7868 179.5607 58 I 3.7892 7.5961 119.7576 64.1861 37.1381 178.4560 59 V 3.4054 7.7615 119.3347 66.0451 31.2408 177.5413 60 Q 4.0724 8.2566 119.5594 59.6071 28.7623 178.0449 61 Y 4.0230 7.6962 120.3321 61.1024 38.8102 177.7955 62 H 3.8886 8.3733 117.2623 58.7156 28.7383 177.8550 63 L 3.9950 8.3336 121.3503 57.4215 41.4416 179.0440 64 E 3.9312 8.2159 119.4648 59.2060 29.5960 178.7131 65 L 3.8086 7.5963 120.3926 58.0452 42.0768 178.1046 66 Y 4.0268 8.1330 119.6170 61.0753 38.5052 178.2944 67 T 4.7169 8.1664 116.9100 66.5287 68.7007 176.2784 68 S 4.1576 7.7656 115.4893 61.4311 62.8396 176.2143 69 Q 3.9464 7.2054 118.5836 56.8743 28.8341 176.2833 70 Y 4.5523 7.5574 116.9512 57.6093 39.4830 175.5271 *72 G 4.1596 7.6782 108.8696 45.6448 0.0000 172.5210 73 T 4.2433 8.5586 116.0201 63.2831 68.9312 172.1842 74 P 4.5622 0.0000 0.0000 61.5610 32.9478 176.3196 75 S 4.4577 8.0066 115.4030 58.1379 65.3347 175.4225 76 T 3.9482 8.2143 118.1389 66.3855 68.1441 176.7388 77 E 3.9884 8.0656 120.9694 59.6110 29.7359 178.7674 78 T 3.7720 8.0931 115.7100 66.5981 68.5631 176.3885 79 A 3.9605 7.7991 121.9924 55.1945 18.3420 179.5955 80 A 4.1280 8.1806 119.2806 55.2367 18.3207 179.8495 81 S 4.0243 8.1562 111.9669 61.4949 62.4458 176.6042 82 V 3.5305 7.8705 121.0674 65.7710 31.1496 178.0024 83 F 3.9782 8.1503 117.3499 60.4846 38.7621 177.3429 84 K 3.9412 8.4385 119.3814 59.6297 31.9547 178.1243 85 E 3.9835 8.4333 119.5164 59.5098 29.1210 178.9167 86 L 4.0497 7.9643 118.8645 58.0898 41.4813 179.3116 87 C 4.2843 8.3871 115.9241 62.3034 28.4248 175.2831 88 Y 4.2506 8.3588 121.6582 60.4801 38.4369 177.1460 89 E 3.9492 8.2157 118.9066 58.4091 29.5963 176.8701 90 N 5.0384 7.7861 115.7099 52.4014 39.3571 176.5586 91 K 3.7204 7.7468 120.6818 60.1716 32.8129 177.8696 92 D 4.3127 7.8768 118.1858 56.7027 40.9936 177.2564 *94 N 5.1012 7.8892 114.5574 52.5937 40.0407 173.7088 95 L 5.1589 7.4424 116.7632 53.5855 45.5881 176.9899 96 T 4.7501 8.6541 116.6825 61.5325 69.5559 170.9937 97 A 4.9926 8.2114 123.2293 49.8688 22.6067 175.6077 98 G 4.0312 9.3500 111.2955 44.8291 0.0000 172.2327 99 I 5.0591 8.3206 126.5466 59.0806 40.6450 175.2248 100 I 4.3718 8.4010 126.2684 59.4959 39.7133 174.5457 101 V 4.6926 8.3394 126.8599 61.1052 33.0516 174.6110 102 A 4.8344 9.1510 129.4146 50.2289 22.0859 174.9014 103 G 4.6069 8.6780 107.5800 44.6276 0.0000 171.0843 104 Y 4.9316 8.9195 123.2678 55.3649 41.0380 175.4485 105 D 4.0030 7.2761 124.3297 53.4308 39.6813 175.0312 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 1 T 8.17 4.48 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 2 S 9.87 4.64 0.00 3.71 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 3 I 8.23 5.31 1.87 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 1.40 0.65 0.97 0.00 0.00 4 M 9.03 4.96 0.00 2.05 2.14 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 2.47 2.49 0.00 5 A 8.40 5.10 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 6 V 8.90 4.51 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 1.13 0.00 0.00 0.93 0.00 0.00 7 T 8.67 4.76 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 1.24 0.00 0.00 8 F 8.45 4.99 0.00 3.30 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 9 K 9.15 3.70 0.00 1.80 2.07 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.51 7.81 10 D 7.41 4.61 0.00 2.66 2.58 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 11 G 5.38 4.46 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 0.00 12 V 8.09 5.11 2.15 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 0.77 0.00 0.00 1.03 0.00 0.00 13 I 8.90 4.67 1.82 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.82 0.00 0.00 14 L 8.59 5.07 0.00 1.44 1.58 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.13 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 16 A 8.50 5.74 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 17 D 8.48 4.82 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 18 S 8.30 4.93 0.00 3.93 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 19 R 8.56 5.12 0.00 1.80 2.04 0.00 3.18 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 20 T 8.75 4.85 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 21 T 8.44 5.24 4.41 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 1.20 0.00 0.00 22 T 8.62 4.43 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 1.27 0.00 0.00 23 G 8.35 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 24 A 8.67 4.40 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 25 Y 7.82 4.42 0.00 3.04 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 26 I 7.39 4.30 1.57 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 0.55 0.81 0.00 0.00 27 A 8.10 4.02 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 28 N 7.82 4.84 0.00 2.72 2.59 0.00 0.00 6.69 7.53 0.00 0.00 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 8.57 4.53 0.00 1.90 1.94 0.00 3.00 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 30 V 8.03 4.53 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 0.71 0.00 0.00 1.02 0.00 0.00 31 T 8.16 3.97 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 32 D 8.64 4.97 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 4.36 0.00 1.78 1.84 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.48 7.81 34 L 8.32 4.71 0.00 1.85 1.88 0.92 0.63 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 35 T 8.82 4.57 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 1.18 0.00 0.00 36 R 7.84 3.34 0.00 0.67 1.13 0.00 3.12 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 37 V 7.83 4.15 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 0.89 0.00 0.00 1.09 0.00 0.00 38 H 7.55 4.51 0.00 3.14 3.16 0.00 5.90 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.48 4.60 0.00 2.72 2.82 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 40 K 8.14 5.05 0.00 1.85 1.98 0.00 1.83 0.00 0.00 2.04 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.59 7.81 41 I 8.23 5.07 1.99 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 1.32 0.83 1.02 0.00 0.00 42 W 9.58 5.32 0.00 3.22 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 43 C 9.47 5.35 0.00 2.75 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 44 C 9.14 5.34 0.00 2.81 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 R 8.52 5.03 0.00 1.74 1.87 0.00 3.18 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 46 S 8.86 4.53 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 47 G 8.94 4.45 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 0.00 0.00 0.00 48 S 9.41 4.15 0.00 3.83 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 49 A 8.86 3.97 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 50 A 8.01 3.95 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 51 D 8.32 4.31 0.00 2.72 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 52 T 8.08 3.95 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 1.30 0.00 0.00 53 Q 8.48 3.95 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 54 A 8.02 3.98 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 55 I 8.16 3.60 2.15 0.00 0.00 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 1.50 0.89 1.03 0.00 0.00 56 A 8.42 4.01 1.50 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 57 D 8.70 4.34 0.00 2.89 2.74 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 0.00 0.00 0.00 0.00 58 I 7.60 3.79 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.99 0.00 0.00 59 V 7.76 3.41 1.66 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 0.63 0.00 0.00 -0.20 0.00 0.00 60 Q 8.26 4.07 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 61 Y 7.70 4.02 0.00 3.05 3.10 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 0.00 0.00 0.00 0.00 62 H 8.37 3.89 0.00 3.33 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.33 4.00 0.00 1.63 1.61 0.92 0.46 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 64 E 8.22 3.93 0.00 2.02 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 2.24 2.29 0.00 65 L 7.60 3.81 0.00 1.35 1.36 0.82 0.77 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 66 Y 8.13 4.03 0.00 3.30 3.15 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 0.00 0.00 0.00 0.00 67 T 8.17 4.72 4.48 0.00 0.00 0.00 0.00 0.00 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 68 S 7.77 4.16 0.00 3.90 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 69 Q 7.21 3.95 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.40 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 70 Y 7.56 4.55 0.00 2.38 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.68 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 0.00 0.00 0.00 0.00 73 T 8.56 4.24 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 1.29 0.00 0.00 74 P 0.00 4.56 0.00 1.67 1.10 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 75 S 8.01 4.46 0.00 4.03 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 76 T 8.21 3.95 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 1.26 0.00 0.00 77 E 8.07 3.99 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 2.35 2.38 0.00 78 T 8.09 3.77 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 0.81 0.00 0.00 79 A 7.80 3.96 1.41 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 0.00 0.00 80 A 8.18 4.13 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.16 4.02 0.00 3.89 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 82 V 7.87 3.53 1.96 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 0.80 0.00 0.00 0.87 0.00 0.00 83 F 8.15 3.98 0.00 3.34 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 84 K 8.44 3.94 0.00 1.83 2.10 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.59 7.81 85 E 8.43 3.98 0.00 2.34 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 2.32 2.44 0.00 86 L 7.96 4.05 0.00 1.96 1.73 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.39 4.28 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 88 Y 8.36 4.25 0.00 3.02 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 89 E 8.22 3.95 0.00 2.34 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 2.36 0.00 90 N 7.79 5.04 0.00 2.97 2.74 0.00 0.00 6.59 7.34 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 91 K 7.75 3.72 0.00 1.85 2.01 0.00 1.43 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.39 1.30 7.81 92 D 7.88 4.31 0.00 2.73 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 *94 N 7.89 5.10 0.00 2.73 2.87 0.00 0.00 7.05 7.85 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 95 L 7.44 5.16 0.00 1.47 1.54 1.00 0.74 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 96 T 8.65 4.75 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 97 A 8.21 4.99 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 98 G 9.35 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 0.00 0.00 0.00 99 I 8.32 5.06 1.71 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.32 0.00 0.00 100 I 8.40 4.37 1.84 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 1.08 0.64 0.89 0.00 0.00 101 V 8.34 4.69 2.02 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 0.82 0.00 0.00 0.52 0.00 0.00 102 A 9.15 4.83 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 0.00 103 G 8.68 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.92 4.93 0.00 2.98 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 0.00 105 D 7.28 4.00 0.00 2.59 2.35 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 * Residues marked with a * may have inaccurate shift predictions.