NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2547 8.3144 119.9988 55.9727 34.2084 174.9871 2 E 3.7561 8.4892 120.4766 54.9823 30.0118 175.3294 3 T 4.2765 8.7510 118.4202 61.2306 72.1033 174.9541 4 A 3.9868 8.5133 123.4510 55.3125 18.4833 179.8722 5 A 4.1399 8.0403 118.5566 55.4152 18.5325 179.5966 6 A 4.0077 8.0414 119.2014 55.0890 18.3648 179.7662 7 K 4.1198 8.3380 119.7463 58.9862 32.2559 178.7177 8 F 4.0979 8.4021 120.9343 61.5157 39.3986 176.9939 9 E 4.0369 8.3864 118.1083 59.3406 29.0181 179.3970 10 R 3.8857 7.8938 117.8030 59.6419 30.2907 178.3312 11 Q 3.9479 7.9624 116.6391 58.1501 29.0357 176.3866 12 H 4.6810 7.9648 113.8045 53.8354 31.6541 173.1887 13 M 4.7058 7.7764 118.2437 53.4384 33.2219 176.5269 14 D 4.8364 8.9137 124.1261 52.4594 41.3230 174.1193 15 S 4.7569 8.1786 116.5947 58.0277 64.1021 175.0968 16 S 3.9822 8.6077 119.1685 60.3360 62.9266 174.8453 17 T 3.2248 8.3965 111.0097 62.4221 66.8756 170.6041 *22 S 4.2700 7.4173 121.5660 58.5613 64.5243 175.5512 23 S 4.3794 8.5220 113.5827 59.8665 63.1277 174.1834 24 N 4.6701 7.9941 119.4079 54.0038 39.4467 175.5452 25 Y 4.0596 7.9991 118.7389 62.0665 38.6538 177.5520 26 C 4.1028 8.3546 116.9778 59.9814 38.5716 175.6294 27 N 4.4014 8.2893 117.6029 56.5688 38.1283 177.0502 28 Q 3.8220 7.8271 120.2256 59.4705 29.2023 178.1295 29 M 3.6514 7.6509 119.8009 58.5499 31.7813 178.7231 30 M 4.0649 8.0844 119.1216 57.9613 31.9767 178.9056 31 K 4.0206 7.8152 121.0344 59.0670 32.3310 179.2242 32 S 4.2230 7.8056 112.7010 60.6011 62.9393 175.4092 33 R 4.3650 7.6024 119.9507 55.0982 30.1667 175.6434 34 N 4.2568 7.9669 114.8876 54.8208 36.5013 174.7809 35 L 4.6137 8.2159 115.9364 54.8597 41.8367 177.7819 36 T 4.9713 7.5382 106.6031 60.0507 69.5889 175.6213 37 K 4.0682 8.2984 123.2851 59.7312 32.4996 177.3581 38 D 4.6514 7.9586 116.9327 55.4157 42.0169 176.6521 39 R 3.9550 7.1461 112.9771 54.4284 32.2784 174.4428 40 C 4.6570 8.5777 116.7833 56.1200 40.5567 173.7177 41 K 4.2188 8.6764 127.4004 55.7597 32.2917 174.7684 42 P 4.7576 0.0000 0.0000 64.5651 32.5054 176.6938 43 V 4.9712 7.6274 117.5442 61.1270 34.4594 174.3160 44 N 4.8192 9.2779 125.2895 52.5742 42.8782 172.8210 45 T 4.8196 7.9153 121.0385 61.6579 71.6687 172.8527 46 F 4.8683 8.9045 124.7212 55.7030 41.9304 174.6997 47 V 4.5711 8.9909 122.7620 61.6752 33.6856 175.4865 48 H 5.4804 8.9346 123.2216 55.1235 30.2135 174.9190 49 E 4.4584 8.1729 118.3332 55.3287 30.4263 177.0639 50 S 4.3284 8.3557 115.0426 58.3353 64.9410 174.8142 51 L 3.9767 7.9454 121.9627 58.5235 41.7974 179.4379 52 A 4.0066 8.0001 119.9812 55.4170 18.1574 179.1906 53 D 4.3325 7.9164 116.1790 57.4314 41.2190 178.9831 54 V 3.7804 7.9164 118.8091 66.1613 31.7413 178.1579 55 Q 3.9148 8.6991 117.9204 58.8254 28.5197 178.6595 56 A 4.0177 8.0874 121.6431 54.7323 18.3053 179.6202 57 V 3.4516 7.5441 116.9152 66.1688 31.2585 177.0700 58 C 3.7935 7.7525 114.6028 58.0171 39.8798 174.2199 59 S 4.6907 7.5162 114.3296 57.9773 63.8526 174.2720 60 Q 4.1127 7.1333 120.3930 56.3162 30.3953 178.8395 61 K 4.3315 8.5039 135.0000 56.3253 32.5208 174.4237 62 N 4.2970 8.7400 127.4168 53.7331 39.6559 174.3390 63 V 4.5852 8.4420 118.3076 59.2545 36.7333 174.8237 64 A 4.2844 8.4092 125.1393 52.3592 19.1126 178.5278 65 C 4.7529 8.8853 119.2776 55.8885 41.3448 175.2648 66 K 3.8056 8.7790 121.4613 59.7368 31.5871 178.3337 67 N 4.4747 7.9812 113.1648 53.4156 37.6973 175.6433 68 G 3.9927 7.8749 108.0284 45.4821 0.0000 174.3501 69 Q 4.2081 8.3608 119.0804 56.4090 29.1597 176.4617 70 T 4.6868 8.2681 109.1195 61.6931 69.2859 173.9143 71 N 5.0180 8.0708 117.2717 54.0851 38.7775 174.5539 72 C 5.2840 7.5145 115.5941 56.8602 44.2103 172.5060 73 Y 5.1628 8.8795 118.6408 56.5086 42.2178 173.8879 74 Q 5.0485 9.1651 125.8278 54.2376 31.1786 174.8968 75 S 4.4825 8.7064 121.8620 58.6989 63.0931 174.2706 76 Y 4.5173 9.2827 122.0150 60.6251 37.9295 176.7514 77 S 4.9094 7.8162 113.9253 56.6163 65.1283 173.8593 78 T 4.1023 8.1000 112.7012 62.1827 69.6154 173.4722 79 M 4.9109 8.9438 122.2732 53.2701 36.6234 174.8163 80 S 4.8421 9.2784 117.8487 58.5840 63.5838 173.0891 81 I 5.1641 8.9249 119.9865 59.5331 41.8276 174.1384 82 T 5.0509 8.8771 118.9754 61.9608 71.9980 172.9129 83 D 4.9277 9.2521 127.3446 53.5726 42.7282 174.7416 84 C 5.5414 9.3999 121.5108 55.2116 44.1971 172.9632 85 R 5.2364 8.6772 123.8848 54.1314 33.4764 173.9805 86 E 4.2648 9.4809 128.2371 56.4308 30.8055 176.6904 87 T 4.3088 8.4295 116.5512 60.9956 69.7007 175.8746 88 G 3.6736 8.5899 111.1219 47.6329 0.0000 174.5044 89 S 4.6239 7.4279 111.9898 57.7918 63.3853 174.0814 90 S 4.2626 7.5517 116.2495 58.1125 62.9210 173.4953 91 K 4.4992 8.2220 127.1466 54.6429 34.8817 174.6050 92 Y 4.4079 8.7595 127.6414 57.6612 39.0824 173.8590 93 P 3.2969 0.0000 0.0000 62.7943 31.8662 176.8451 94 N 4.6037 7.5726 118.9037 52.2085 36.9084 172.5614 95 C 4.3228 8.1146 116.6358 56.4306 39.0145 173.0650 96 A 5.1120 8.6844 126.9249 50.2683 21.4827 174.4722 97 Y 5.1743 9.3466 119.0866 56.1198 42.0395 175.2110 98 K 4.5221 9.0004 122.1382 55.9226 34.0720 175.7407 99 T 4.8447 8.5448 121.1517 62.4912 70.3038 174.2701 100 T 4.5952 8.7149 122.5039 61.7846 72.0021 173.4932 101 Q 4.7347 8.8286 125.6348 55.9447 29.9316 175.1941 102 A 4.6642 8.8485 122.9491 51.0739 23.7035 175.0555 103 N 5.3949 8.6785 115.5078 51.7269 41.0806 174.2149 104 K 4.7588 8.7972 122.3650 54.5448 37.5338 175.7990 105 H 4.7644 8.7672 118.9774 56.0207 29.8589 174.7746 106 I 4.8246 8.5454 115.5898 59.2529 40.6503 174.3869 107 I 4.8450 8.4793 124.7911 59.7179 39.8567 175.0509 108 V 4.8491 8.6096 119.5719 59.3088 35.9416 174.5628 109 A 4.9342 8.7112 125.2822 51.3211 20.3694 175.7021 110 C 5.0992 8.6773 119.4513 55.2220 42.4088 173.1758 111 E 4.6601 8.6578 121.4055 56.6041 33.6587 175.8203 112 G 3.9013 9.3256 111.7387 44.6096 0.0000 171.2359 113 N 5.1024 8.2296 116.2762 50.6356 40.8466 172.5768 114 P 4.3306 0.0000 0.0000 62.9069 31.8892 175.8619 115 Y 4.8661 8.2546 121.2010 56.8833 38.4833 174.4981 116 V 4.4407 7.8457 117.9128 58.2037 36.7076 173.4046 117 P 4.4684 0.0000 0.0000 62.9793 31.1152 176.9831 118 V 4.4577 8.6314 115.4507 61.2302 33.8169 175.2411 119 H 4.9458 7.8399 119.6518 55.0055 33.4292 171.9142 120 F 4.6520 8.7747 128.3441 57.3697 39.1292 174.4519 121 D 4.5974 8.5806 127.5116 56.4540 41.8772 175.9633 122 A 4.5337 6.5943 117.0625 51.4240 22.3604 174.9386 123 S 5.1670 8.8932 113.5965 56.6417 65.9453 174.6620 124 V 4.1433 8.7641 114.9919 61.6643 32.3925 175.4559 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 K 8.31 4.25 0.00 1.89 1.90 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.45 7.81 2 E 8.49 3.76 0.00 2.11 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 2.40 2.38 0.00 3 T 8.75 4.28 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 1.23 0.00 0.00 4 A 8.51 3.99 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 5 A 8.04 4.14 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 6 A 8.04 4.01 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 7 K 8.34 4.12 0.00 1.96 2.04 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.31 7.81 8 F 8.40 4.10 0.00 3.27 3.27 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 9 E 8.39 4.04 0.00 2.30 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 2.54 2.68 0.00 10 R 7.89 3.89 0.00 1.82 2.08 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 7.96 3.95 0.00 1.52 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 12 H 7.96 4.68 0.00 1.92 2.57 0.00 5.60 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 13 M 7.78 4.71 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 14 D 8.91 4.84 0.00 2.74 2.61 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 15 S 8.18 4.76 0.00 3.83 3.83 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 16 S 8.61 3.98 0.00 3.87 3.90 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 17 T 8.40 3.22 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 1.20 0.00 0.00 *22 S 7.42 4.27 0.00 4.07 4.12 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 23 S 8.52 4.38 0.00 4.04 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 24 N 7.99 4.67 0.00 2.82 2.84 0.00 0.00 6.70 8.77 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 25 Y 8.00 4.06 0.00 3.14 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 26 C 8.35 4.10 0.00 3.14 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 27 N 8.29 4.40 0.00 3.07 2.94 0.00 0.00 6.74 7.74 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 28 Q 7.83 3.82 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 29 M 7.65 3.65 0.00 0.93 1.26 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.55 0.00 30 M 8.08 4.06 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 2.40 0.00 31 K 7.82 4.02 0.00 1.95 1.94 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.30 7.81 32 S 7.81 4.22 0.00 4.02 3.90 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 33 R 7.60 4.36 0.00 1.92 2.11 0.00 3.62 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.97 0.00 34 N 7.97 4.26 0.00 2.90 2.94 0.00 0.00 6.81 7.13 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 35 L 8.22 4.61 0.00 1.79 1.64 0.79 0.75 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 36 T 7.54 4.97 4.40 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 1.48 0.00 0.00 37 K 8.30 4.07 0.00 1.78 1.91 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.44 7.81 38 D 7.96 4.65 0.00 2.62 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 39 R 7.15 3.95 0.00 1.77 1.69 0.00 2.91 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 40 C 8.58 4.66 0.00 3.09 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 41 K 8.68 4.22 0.00 1.83 1.78 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.42 7.81 42 P 0.00 4.76 0.00 2.15 2.11 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 43 V 7.63 4.97 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 0.79 0.00 0.00 0.97 0.00 0.00 44 N 9.28 4.82 0.00 2.61 2.25 0.00 0.00 6.64 7.73 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 45 T 7.92 4.82 2.96 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 0.00 0.00 0.00 0.96 0.00 0.00 46 F 8.90 4.87 0.00 2.99 2.89 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 V 8.99 4.57 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 1.13 0.00 0.00 1.01 0.00 0.00 48 H 8.93 5.48 0.00 3.11 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.17 4.46 0.00 2.01 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 2.36 2.28 0.00 50 S 8.36 4.33 0.00 4.07 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 51 L 7.95 3.98 0.00 1.86 1.76 1.02 1.11 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 52 A 8.00 4.01 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 53 D 7.92 4.33 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.78 2.29 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 1.23 0.00 0.00 1.07 0.00 0.00 55 Q 8.70 3.91 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 56 A 8.09 4.02 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 57 V 7.54 3.45 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 0.98 0.00 0.00 0.96 0.00 0.00 58 C 7.75 3.79 0.00 2.90 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 59 S 7.52 4.69 0.00 3.92 3.83 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 60 Q 7.13 4.11 0.00 1.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.02 0.00 0.00 0.00 0.00 0.00 1.83 2.17 0.00 61 K 8.50 4.33 0.00 1.98 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.53 7.81 62 N 8.74 4.30 0.00 2.71 2.64 0.00 0.00 6.99 7.71 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 63 V 8.44 4.59 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 0.66 0.00 0.00 0.82 0.00 0.00 64 A 8.41 4.28 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 65 C 8.89 4.75 0.00 3.09 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 66 K 8.78 3.81 0.00 1.92 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 67 N 7.98 4.47 0.00 2.79 2.90 0.00 0.00 6.31 7.00 0.00 0.00 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 7.87 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 0.00 0.00 0.00 69 Q 8.36 4.21 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 70 T 8.27 4.69 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 1.17 0.00 0.00 71 N 8.07 5.02 0.00 3.07 3.14 0.00 0.00 6.06 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 72 C 7.51 5.28 0.00 3.07 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 73 Y 8.88 5.16 0.00 2.78 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 74 Q 9.17 5.05 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 75 S 8.71 4.48 0.00 3.93 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 76 Y 9.28 4.52 0.00 2.99 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 77 S 7.82 4.91 0.00 3.91 3.81 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 78 T 8.10 4.10 4.18 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 1.01 0.00 0.00 79 M 8.94 4.91 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 80 S 9.28 4.84 0.00 3.93 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 81 I 8.92 5.16 1.94 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 1.27 0.79 1.04 0.00 0.00 82 T 8.88 5.05 4.40 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 1.28 0.00 0.00 83 D 9.25 4.93 0.00 2.60 2.61 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 84 C 9.40 5.54 0.00 2.84 2.84 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 0.00 0.00 0.00 85 R 8.68 5.24 0.00 1.85 1.79 0.00 3.14 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 86 E 9.48 4.26 0.00 2.19 1.72 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 2.05 1.50 0.00 87 T 8.43 4.31 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 1.24 0.00 0.00 88 G 8.59 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 0.00 0.00 0.00 89 S 7.43 4.62 0.00 3.98 3.92 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 90 S 7.55 4.26 0.00 3.75 3.81 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 91 K 8.22 4.50 0.00 1.76 1.57 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.44 7.81 92 Y 8.76 4.41 0.00 2.93 2.86 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 93 P 0.00 3.30 0.00 1.78 1.14 0.00 3.64 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 94 N 7.57 4.60 0.00 2.76 2.77 0.00 0.00 6.94 7.09 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 95 C 8.11 4.32 0.00 3.10 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 96 A 8.68 5.11 1.13 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.35 5.17 0.00 2.82 2.86 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 98 K 9.00 4.52 0.00 1.78 1.77 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 99 T 8.54 4.84 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 0.00 100 T 8.71 4.60 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 1.23 0.00 0.00 101 Q 8.83 4.73 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 102 A 8.85 4.66 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 0.00 103 N 8.68 5.39 0.00 2.57 2.74 0.00 0.00 6.67 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 0.00 104 K 8.80 4.76 0.00 1.72 1.86 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 8.77 4.76 0.00 3.10 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.55 4.82 1.81 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 1.12 0.00 0.00 107 I 8.48 4.84 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.85 0.00 0.00 108 V 8.61 4.85 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 0.76 0.00 0.00 0.86 0.00 0.00 109 A 8.71 4.93 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 0.00 110 C 8.68 5.10 0.00 2.12 1.72 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 0.00 111 E 8.66 4.66 0.00 1.98 1.68 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 2.24 2.30 0.00 112 G 9.33 3.90 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 0.00 0.00 0.00 113 N 8.23 5.10 0.00 2.64 2.70 0.00 0.00 6.89 7.69 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 0.00 114 P 0.00 4.33 0.00 2.23 2.06 0.00 3.82 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 1.99 1.96 0.00 115 Y 8.25 4.87 0.00 2.85 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 0.00 116 V 7.85 4.44 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 0.67 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.47 0.00 0.49 1.02 0.00 3.32 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 118 V 8.63 4.46 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 0.66 0.00 0.00 0.93 0.00 0.00 119 H 7.84 4.95 0.00 3.21 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.77 4.65 0.00 2.69 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 0.00 121 D 8.58 4.60 0.00 2.63 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 0.00 122 A 6.59 4.53 1.15 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 0.00 0.00 123 S 8.89 5.17 0.00 4.04 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 0.00 124 V 8.76 4.14 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 0.79 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.