NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8913 8.0549 120.2911 61.5191 32.3225 175.4407 2 D 4.2149 8.3360 119.7762 54.4220 39.3131 173.3904 3 W 5.6649 8.4224 123.2421 54.5168 32.1278 176.6761 4 T 4.6166 8.5271 112.7533 60.1379 71.8750 175.3847 5 D 4.2873 8.5225 119.8225 57.4157 41.2253 177.8347 6 A 4.0498 8.0675 120.8048 55.2869 18.3612 179.4030 7 E 3.9871 8.1537 116.6694 59.6517 29.6629 179.6740 8 R 3.6407 8.2755 118.0883 59.2164 30.1521 178.5842 9 A 3.9062 8.4586 120.4874 55.2713 18.3539 179.2323 10 A 3.8899 8.1486 118.3523 55.4339 18.4409 179.8762 11 I 3.6301 7.7529 117.8713 64.5260 37.1503 178.7149 12 K 3.8651 8.4761 119.2306 59.6167 31.7005 179.2325 13 A 3.9256 8.2271 119.9381 54.9584 18.5008 179.1378 14 L 3.7974 7.7992 118.8889 57.8209 41.9311 178.9008 15 W 4.3248 8.6474 128.8869 60.2194 30.3970 177.7888 16 G 3.5891 8.2272 104.2395 46.3353 0.0000 174.9031 17 K 4.2255 7.4012 119.6902 57.0225 33.2393 177.5460 18 I 3.7427 6.5021 119.6558 61.5682 37.5895 175.2582 19 D 4.5635 8.3321 124.3347 52.5642 41.0762 176.7691 20 V 3.5959 8.3090 121.4491 64.5229 31.4165 178.3289 21 G 3.7038 7.9671 101.9504 46.1889 0.0000 173.8743 22 E 4.3743 8.1543 121.2604 57.9965 30.6502 177.7408 23 I 3.8150 7.5430 119.4062 64.0725 37.2965 177.9405 24 G 3.7453 8.2773 106.7239 47.5106 0.0000 173.5093 25 P 4.2302 0.0000 0.0000 65.1603 31.4116 178.6314 26 Q 3.9520 7.6093 115.7685 58.9187 28.6148 178.8759 27 A 3.9957 8.2530 121.7988 55.2771 18.5958 179.3889 28 L 3.9659 8.1728 118.7504 58.3717 42.1128 179.4338 29 S 4.1270 8.3996 115.3963 61.7332 62.8199 176.8999 30 R 3.9118 8.2272 120.8702 58.8914 29.6962 178.6383 31 L 4.0698 8.1266 120.2726 58.5043 41.9525 179.1694 32 L 4.0913 7.6941 119.4381 57.4271 41.2865 179.4743 33 I 3.7849 7.5508 118.9582 64.2475 37.2550 178.2212 34 V 3.5127 8.0666 119.0308 64.6602 32.9116 175.9660 35 Y 3.9351 7.4682 116.4851 54.0768 37.6962 174.1497 36 P 4.5033 0.0000 0.0000 64.3053 31.2504 177.9981 37 W 4.4265 7.3787 115.7872 58.5686 28.3299 177.4495 38 T 4.1834 7.4499 110.7615 63.7567 68.4337 176.4565 39 Q 4.2404 8.0720 121.7569 58.8664 28.4606 178.1997 40 R 3.9116 7.4073 117.6195 59.1835 30.0615 177.5482 41 H 4.3831 7.4483 114.4256 56.4820 29.4186 175.5424 42 F 4.6246 7.4372 120.4369 56.4819 39.2680 177.8293 43 K 4.0106 8.1427 121.5539 59.1963 32.1307 178.3951 44 G 4.0372 7.9920 105.9086 45.9032 0.0000 174.0482 45 F 4.8603 8.3642 117.8452 56.9108 40.3786 178.1403 46 G 3.8643 8.0511 108.0668 45.4843 0.0000 174.9096 47 N 4.4556 8.7628 125.3134 54.0336 38.3230 174.4034 48 I 4.7722 8.0445 118.7195 60.6646 38.5824 176.6894 49 S 4.2691 8.3971 117.9768 61.0734 63.3558 174.1319 50 T 4.7443 7.4494 110.3890 59.1611 72.9548 174.3465 51 N 4.3314 8.5780 118.0862 56.2346 38.6321 177.4822 52 A 4.0156 7.9936 121.5500 54.4216 18.6772 179.3284 53 A 3.9217 7.8369 119.6257 55.4144 18.2647 179.7603 54 I 3.6446 7.6027 116.7678 64.7466 37.3737 178.5700 55 L 4.1690 8.0653 118.4265 57.1546 41.4493 178.9978 56 G 4.0303 7.7035 103.8107 44.3507 0.0000 173.2654 57 N 4.1921 7.9027 120.0184 53.7849 39.1908 175.3707 58 A 3.9855 8.5493 128.2518 54.8275 18.4454 179.1714 59 K 3.6692 8.3705 117.8007 59.2244 31.9132 179.7130 60 V 3.1734 7.5045 117.9729 65.7201 31.3420 177.7836 61 A 3.9037 7.3495 119.5555 54.9649 18.4578 178.9569 62 E 3.9407 8.1072 117.8032 59.8151 29.7994 178.6578 63 H 4.3642 8.2218 118.3946 59.0309 29.7521 177.3892 64 G 3.6509 8.2707 107.9297 47.6975 0.0000 175.8696 65 K 4.0988 7.8616 120.2933 59.5051 32.0552 179.6320 66 T 3.9625 7.7559 115.7707 66.4172 68.5165 176.7868 67 V 3.6601 7.7770 120.3826 66.3207 31.6031 178.1017 68 M 4.6375 8.1765 118.3665 58.2398 31.8007 178.9874 69 G 3.8883 8.2866 106.3312 47.6038 0.0000 176.1552 70 G 3.6887 8.2826 108.0107 47.5389 0.0000 175.8066 71 L 4.4460 8.0423 120.8600 57.4462 41.6883 178.8636 72 D 4.1630 8.3806 118.2521 57.1583 40.9559 178.1450 73 R 3.9597 7.8502 118.0214 59.1842 30.2892 178.0556 74 A 4.1086 7.4932 119.7787 54.9315 18.4859 179.7519 75 V 3.2442 7.4924 115.2923 65.6647 31.4505 177.5845 76 Q 4.2662 7.8105 116.4595 56.7771 30.0544 175.4687 77 N 5.1099 7.9697 117.0487 52.1707 39.2345 175.7095 78 M 4.0947 8.0188 117.4295 57.8270 32.5807 177.6863 79 D 5.0900 8.0324 116.3849 54.0717 41.5552 176.3365 80 N 4.9617 8.6535 114.8331 54.3196 41.3923 176.5005 81 I 3.4231 7.8077 119.3856 64.5846 37.4837 177.8204 82 K 3.9193 8.0356 117.8635 59.6683 32.2768 178.8790 83 N 4.5288 8.5305 116.6259 56.1960 38.1961 177.6096 84 V 3.9767 7.7772 111.5391 63.0903 32.0964 176.7361 85 Y 4.6755 7.7362 116.5358 57.7845 38.1391 177.0090 86 K 3.8672 7.8970 124.5590 59.9515 32.1265 178.8554 87 Q 4.0794 7.9269 117.5162 58.9213 28.9371 178.3167 88 L 3.9636 7.7008 119.4406 57.6154 41.5653 179.1481 89 S 4.7244 8.0231 114.6753 60.8242 62.3808 175.8126 90 I 3.5597 7.2939 120.9338 65.1900 36.9953 177.4880 91 K 3.7355 8.2232 119.5350 60.4382 31.7170 178.0067 92 H 4.2387 8.6268 115.1647 58.4410 29.0713 177.2233 93 S 4.5577 8.7699 114.7133 58.1442 63.9502 175.0288 94 E 4.2969 8.4251 119.9207 55.9875 31.5380 176.3968 95 K 4.3260 7.8783 115.8245 58.2162 33.4866 177.7249 96 I 3.7699 8.0560 118.6266 62.7677 37.7171 175.9429 97 H 4.1657 8.0068 114.2414 56.6357 25.0413 175.3962 98 V 3.6875 8.2361 119.1053 61.8453 32.5272 175.0779 99 D 3.9491 8.5651 126.8207 53.7517 41.8565 174.6397 100 P 3.7534 0.0000 0.0000 65.9218 31.4475 178.0366 101 D 4.2963 7.5704 115.4686 57.0558 40.8700 178.0135 102 N 4.3886 8.1568 117.3340 56.1174 38.3859 177.1966 103 F 4.5327 7.9963 119.8507 60.5566 38.9809 177.6224 104 R 3.9272 8.0348 117.8352 59.3449 29.9901 178.2776 105 L 3.8968 7.6968 118.6580 57.9137 41.5973 179.4252 106 L 4.1843 8.4580 120.6441 57.9515 42.0534 179.0755 107 G 3.7118 8.3937 106.0598 47.9366 0.0000 175.5418 108 E 4.1332 8.8168 121.4366 59.2577 29.4804 179.5271 109 I 3.8200 8.1437 119.9674 64.3572 37.1510 178.5958 110 I 3.8301 8.1566 120.7421 64.8107 36.9392 178.4803 111 T 4.1845 8.1214 116.4711 67.0032 68.2419 176.2935 112 M 4.0124 8.4180 120.1155 58.9979 31.9750 178.1227 113 C 4.0895 8.4772 117.2783 62.7373 28.3079 176.3342 114 V 3.6222 8.3871 120.5032 65.5778 31.0242 178.4543 115 G 3.2899 7.9260 105.6162 47.7084 0.0000 175.6563 116 A 4.0605 7.9792 122.1483 53.6663 18.3323 179.3152 117 K 3.7563 7.2361 117.4787 59.1761 32.5042 178.2932 118 F 4.6795 7.7191 115.6139 56.7133 39.7505 177.0473 119 G 4.0771 8.0524 103.7836 44.3802 0.0000 172.2714 120 P 4.6518 0.0000 0.0000 64.3360 31.3194 177.6576 121 S 4.6204 8.0402 112.6452 58.3788 63.6923 173.9455 122 A 4.4795 8.0277 121.2867 53.4759 20.9335 177.0748 123 F 4.5261 8.0970 119.3898 57.2639 37.8639 175.4605 124 T 4.3192 7.2849 116.2614 59.8461 71.7805 173.7600 125 P 4.2873 0.0000 0.0000 65.7047 31.0700 178.8925 126 E 3.9565 8.0044 116.9421 59.3548 29.4201 179.2846 127 I 3.6562 7.3573 119.7033 64.7580 37.2890 177.6739 128 H 3.5498 7.9449 119.3976 59.3819 29.5257 176.6400 129 E 3.8986 8.3144 120.4630 59.2990 29.5821 178.6423 130 A 4.2126 7.8565 120.9441 54.9267 18.4183 179.3343 131 W 4.5265 8.8449 127.3738 60.9655 30.8838 178.0452 132 Q 4.0013 8.5978 119.5431 59.0411 28.1696 178.0457 133 K 4.0511 8.2613 120.4168 59.1486 32.1679 178.6352 134 F 4.6287 8.4158 121.2156 61.5091 39.4283 177.1052 135 L 3.4269 7.7885 118.3437 57.5068 41.4643 179.3031 136 A 3.9768 7.9801 120.6967 55.1455 18.1317 179.9852 137 V 3.3807 7.3595 116.2277 65.9773 31.6897 178.2063 138 V 3.0752 7.0900 117.9425 65.9745 31.3650 177.7871 139 V 3.4685 8.0505 118.0170 66.3509 31.0538 177.9733 140 S 4.1524 7.6861 110.6875 61.3293 62.3210 175.7181 141 A 4.1048 8.0390 122.6697 54.6653 18.3728 179.1829 142 L 4.0565 8.0034 117.8456 55.6124 41.4975 177.0870 143 G 4.8826 7.3121 105.1466 42.2783 0.0000 173.0837 144 R 4.7566 7.1889 126.3226 56.3492 30.3845 175.4753 145 Q 3.8026 7.7330 123.2474 58.8202 29.7440 179.0079 146 Y 4.1586 7.4577 119.0748 60.5627 38.5438 176.1474 *147 H 4.8367 8.6238 120.6560 54.2161 28.9188 174.5585 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 V 8.05 3.89 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 0.39 0.00 0.00 0.77 0.00 0.00 2 D 8.34 4.21 0.00 2.61 2.60 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 3 W 8.42 5.66 0.00 3.27 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 4 T 8.53 4.62 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 1.26 0.00 0.00 5 D 8.52 4.29 0.00 2.83 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 6 A 8.07 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.99 0.00 2.50 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 2.51 2.50 0.00 8 R 8.28 3.64 0.00 1.92 1.87 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.85 0.00 9 A 8.46 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 3.89 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 11 I 7.75 3.63 1.71 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 0.26 0.00 0.00 12 K 8.48 3.87 0.00 1.81 1.83 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 13 A 8.23 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 14 L 7.80 3.80 0.00 1.75 1.64 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.65 4.32 0.00 3.41 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 16 G 8.23 3.59 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 0.00 0.00 0.00 17 K 7.40 4.23 0.00 1.13 1.62 0.00 1.43 0.00 0.00 1.06 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.21 1.39 7.81 18 I 6.50 3.74 1.52 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.64 0.00 0.00 19 D 8.33 4.56 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 3.60 2.04 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 0.43 0.00 0.00 0.88 0.00 0.00 21 G 7.97 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 0.00 0.00 0.00 22 E 8.15 4.37 0.00 2.02 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 2.12 2.24 0.00 23 I 7.54 3.81 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.96 0.00 0.00 24 G 8.28 3.75 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 0.00 0.00 0.00 25 P 0.00 4.23 0.00 2.13 2.09 0.00 3.47 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 26 Q 7.61 3.95 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 27 A 8.25 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 3.97 0.00 1.79 1.68 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.40 4.13 0.00 4.07 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 30 R 8.23 3.91 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 31 L 8.13 4.07 0.00 1.88 1.96 1.03 0.73 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 32 L 7.69 4.09 0.00 1.90 1.75 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.55 3.78 1.91 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 1.38 0.57 0.84 0.00 0.00 34 V 8.07 3.51 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 0.02 0.00 0.00 0.81 0.00 0.00 35 Y 7.47 3.94 0.00 2.62 1.43 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 36 P 0.00 4.50 0.00 2.26 2.28 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.87 0.00 37 W 7.38 4.43 0.00 3.60 3.58 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 38 T 7.45 4.18 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 1.06 0.00 0.00 39 Q 8.07 4.24 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 40 R 7.41 3.91 0.00 1.80 1.77 0.00 3.20 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 41 H 7.45 4.38 0.00 2.37 2.70 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.44 4.62 0.00 2.71 1.45 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 43 K 8.14 4.01 0.00 1.71 1.88 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.44 7.81 44 G 7.99 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 45 F 8.36 4.86 0.00 3.10 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 46 G 8.05 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 47 N 8.76 4.46 0.00 2.72 2.80 0.00 0.00 6.56 7.94 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 48 I 8.04 4.77 1.94 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 1.71 0.86 1.04 0.00 0.00 49 S 8.40 4.27 0.00 4.01 4.06 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 50 T 7.45 4.74 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 51 N 8.58 4.33 0.00 2.82 2.89 0.00 0.00 6.70 7.22 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 52 A 7.99 4.02 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 53 A 7.84 3.92 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.60 3.64 2.03 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 1.56 0.90 0.92 0.00 0.00 55 L 8.07 4.17 0.00 1.59 1.72 0.92 0.99 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 56 G 7.70 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 57 N 7.90 4.19 0.00 2.92 2.83 0.00 0.00 6.93 7.07 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 58 A 8.55 3.99 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 59 K 8.37 3.67 0.00 1.67 1.18 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.32 7.81 60 V 7.50 3.17 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 1.09 0.00 0.00 1.01 0.00 0.00 61 A 7.35 3.90 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 62 E 8.11 3.94 0.00 2.08 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 2.26 2.27 0.00 63 H 8.22 4.36 0.00 3.22 3.26 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.27 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 0.00 0.00 0.00 65 K 7.86 4.10 0.00 1.97 1.87 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.64 7.81 66 T 7.76 3.96 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 1.26 0.00 0.00 67 V 7.78 3.66 2.31 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 1.14 0.00 0.00 1.01 0.00 0.00 68 M 8.18 4.64 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.92 0.00 69 G 8.29 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 0.00 0.00 0.00 70 G 8.28 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 0.00 0.00 0.00 71 L 8.04 4.45 0.00 2.20 1.41 1.24 0.62 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 72 D 8.38 4.16 0.00 3.56 3.14 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 73 R 7.85 3.96 0.00 2.15 2.21 0.00 3.38 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 74 A 7.49 4.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.49 3.24 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 0.63 0.00 0.00 -0.20 0.00 0.00 76 Q 7.81 4.27 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.15 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 77 N 7.97 5.11 0.00 2.89 2.71 0.00 0.00 6.82 7.61 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 78 M 8.02 4.09 0.00 1.36 1.88 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.25 0.00 79 D 8.03 5.09 0.00 2.70 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 80 N 8.65 4.96 0.00 2.72 2.69 0.00 0.00 7.20 7.21 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 81 I 7.81 3.42 1.77 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 1.26 0.88 0.37 0.00 0.00 82 K 8.04 3.92 0.00 1.69 1.85 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 83 N 8.53 4.53 0.00 3.10 2.87 0.00 0.00 7.10 8.43 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 84 V 7.78 3.98 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 0.84 0.00 0.00 1.10 0.00 0.00 85 Y 7.74 4.68 0.00 3.06 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 86 K 7.90 3.87 0.00 2.11 1.83 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 87 Q 7.93 4.08 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 88 L 7.70 3.96 0.00 1.20 1.36 0.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.02 4.72 0.00 4.06 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 90 I 7.29 3.56 1.98 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 1.36 0.46 0.87 0.00 0.00 91 K 8.22 3.74 0.00 1.84 1.72 0.00 1.51 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.44 7.81 92 H 8.63 4.24 0.00 3.47 3.74 0.00 5.83 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 93 S 8.77 4.56 0.00 3.42 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 94 E 8.43 4.30 0.00 1.70 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 2.14 2.16 0.00 95 K 7.88 4.33 0.00 1.88 1.79 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.46 7.81 96 I 8.06 3.77 1.96 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.77 0.00 0.00 97 H 8.01 4.17 0.00 3.38 3.43 0.00 5.69 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.24 3.69 2.04 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 0.43 0.00 0.00 0.80 0.00 0.00 99 D 8.57 3.95 0.00 2.62 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.75 0.00 2.05 2.20 0.00 3.19 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.49 0.00 101 D 7.57 4.30 0.00 2.81 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 0.00 102 N 8.16 4.39 0.00 2.63 2.81 0.00 0.00 6.83 7.70 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 0.00 103 F 8.00 4.53 0.00 3.18 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 0.00 104 R 8.03 3.93 0.00 1.93 2.17 0.00 3.21 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 105 L 7.70 3.90 0.00 1.78 1.34 0.27 0.18 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 0.00 106 L 8.46 4.18 0.00 1.87 1.80 1.04 1.22 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 0.00 107 G 8.39 3.71 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 0.00 0.00 0.00 108 E 8.82 4.13 0.00 2.26 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 0.00 2.43 2.70 0.00 109 I 8.14 3.82 2.11 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.02 1.03 0.00 0.00 110 I 8.16 3.83 2.27 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.02 1.29 0.00 0.00 111 T 8.12 4.18 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 1.64 0.00 0.00 112 M 8.42 4.01 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 113 C 8.48 4.09 0.00 3.17 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 0.00 114 V 8.39 3.62 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 0.50 0.00 0.00 0.94 0.00 0.00 115 G 7.93 3.29 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 0.00 116 A 7.98 4.06 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 0.00 117 K 7.24 3.76 0.00 1.54 1.14 0.00 1.38 0.00 0.00 1.39 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.82 0.49 7.81 118 F 7.72 4.68 0.00 3.10 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 0.00 119 G 8.05 4.08 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 0.00 0.00 0.00 120 P 0.00 4.65 0.00 2.10 2.18 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 121 S 8.04 4.62 0.00 3.88 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 0.00 122 A 8.03 4.48 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 0.00 123 F 8.10 4.53 0.00 2.97 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 0.00 124 T 7.28 4.32 4.20 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 1.27 0.00 0.00 125 P 0.00 4.29 0.00 2.16 2.13 0.00 3.58 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 2.11 2.19 0.00 126 E 8.00 3.96 0.00 1.94 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 2.38 2.33 0.00 127 I 7.36 3.66 1.59 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 0.87 0.00 0.00 128 H 7.94 3.55 0.00 2.28 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.31 3.90 0.00 2.20 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 0.00 2.35 2.33 0.00 130 A 7.86 4.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 8.84 4.53 0.00 3.59 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.60 4.00 0.00 2.52 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 133 K 8.26 4.05 0.00 2.00 2.25 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.55 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.32 7.81 134 F 8.42 4.63 0.00 3.23 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 0.00 135 L 7.79 3.43 0.00 1.46 1.50 0.38 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.98 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.36 3.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 138 V 7.09 3.08 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 0.91 0.00 0.00 0.11 0.00 0.00 139 V 8.05 3.47 2.21 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 1.07 0.00 0.00 0.96 0.00 0.00 140 S 7.69 4.15 0.00 4.10 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 0.00 141 A 8.04 4.10 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 0.00 142 L 8.00 4.06 0.00 1.21 0.37 0.44 -0.09 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 0.00 143 G 7.31 4.88 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 0.00 144 R 7.19 4.76 0.00 1.86 1.62 0.00 3.17 0.00 0.00 3.24 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 0.00 145 Q 7.73 3.80 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 146 Y 7.46 4.16 0.00 3.15 3.32 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 *147 H 8.62 4.84 0.00 3.01 3.17 0.00 5.87 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 * Residues marked with a * may have inaccurate shift predictions.