NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3227 8.3144 120.1348 56.7260 33.5524 174.3593 2 E 4.5066 8.0404 118.7038 52.3830 32.3974 173.9925 3 T 4.1772 8.7004 117.7375 61.3522 71.9601 175.0767 4 A 3.9820 8.5144 123.7296 55.2855 18.6147 179.9105 5 A 4.1097 8.0437 118.6114 55.4086 18.5157 179.6124 6 A 4.2908 8.1214 120.5840 54.6388 18.3686 179.8101 7 K 4.0654 8.4542 118.5579 59.4847 32.2812 178.7569 8 F 4.0395 8.5944 121.2811 61.3303 39.0028 176.9639 9 E 4.0439 8.3021 117.7022 59.4528 29.0878 179.3120 10 R 3.9449 7.8109 117.3143 59.6745 30.2576 178.2818 11 Q 3.9409 7.9989 116.5757 57.9923 29.0330 176.3246 12 H 4.8311 7.8111 114.0352 54.1008 31.5941 173.3244 13 M 4.6780 7.9323 118.8096 54.0130 33.2712 176.4218 14 D 4.7829 9.0303 123.1911 52.7454 41.3654 175.7157 15 S 4.5986 8.4253 114.4849 59.0952 63.6024 175.4446 16 S 4.4488 7.9326 117.3159 59.8920 63.1047 174.3826 17 T 4.7764 7.5897 108.6970 59.5243 71.3919 174.1109 18 S 4.2276 8.6309 116.7284 60.2861 63.7152 173.5212 19 A 3.7025 7.0261 120.8335 50.7997 21.3107 175.4382 20 A 3.5178 8.4610 124.1314 52.3000 18.5634 178.4245 21 S 4.4275 8.6211 117.2505 59.5122 64.3610 173.8389 22 S 4.6279 7.5040 114.5393 56.9259 65.3755 174.8103 23 S 4.3604 8.5654 114.4967 59.9978 63.0412 174.2298 24 N 4.6703 8.1460 119.6948 54.0200 39.4340 175.5558 25 Y 4.0453 8.0986 118.8911 62.0719 38.6696 177.5661 26 C 4.2654 8.4343 117.0574 60.0481 38.5646 175.7235 27 N 4.4149 8.2564 117.5719 56.5392 38.0698 177.3634 28 Q 3.9477 7.9764 119.1254 59.2855 28.8836 178.6909 29 M 3.6943 7.7260 121.3429 57.8499 31.7569 178.6774 30 M 4.0144 8.0906 119.2546 58.1075 31.9854 178.8708 31 K 4.0158 7.8712 119.8972 59.0905 32.0225 179.2425 32 S 4.2258 8.2447 114.3958 60.7107 62.6274 175.3612 33 R 4.4356 7.6886 120.2129 55.4184 29.9501 175.8716 34 N 4.2940 7.9151 114.5395 54.6542 36.4893 174.8080 35 L 4.5495 8.1550 116.6315 55.0107 41.9105 177.6784 36 T 5.2552 7.4659 107.3035 60.2982 69.3204 176.0106 37 K 4.1355 8.2919 121.4275 59.6419 32.2505 177.6634 38 D 4.7511 7.7808 116.7893 54.4789 42.6794 176.2782 39 R 3.8045 7.1376 113.8324 54.8298 31.9056 174.5599 40 C 4.7357 8.6163 116.7492 55.7411 40.2685 173.9152 41 K 4.1232 8.5826 127.4919 56.0918 32.3948 174.8091 42 P 4.7220 0.0000 0.0000 65.1922 32.4552 176.6549 43 V 5.0110 7.5563 117.0869 61.3310 34.7299 174.1265 44 N 4.7432 9.0692 124.1825 52.8000 42.9521 172.8855 45 T 4.8070 7.8573 120.9703 61.6407 71.8083 172.7576 46 F 4.9416 8.9298 124.7880 55.7517 41.8391 174.7866 47 V 4.4628 8.8255 123.3137 61.1165 33.2896 175.7148 48 H 5.5917 8.7903 129.6111 53.8009 26.1500 173.5110 49 E 4.7848 7.6734 118.2131 53.3522 34.6928 176.3024 50 S 4.3433 8.3996 114.7603 58.2388 64.8530 174.7613 51 L 3.9704 7.9311 123.3559 58.5313 41.8071 179.3451 52 A 3.9933 8.0451 119.9375 55.4647 18.1065 179.1445 53 D 4.3179 8.0795 116.1219 57.4945 41.1766 179.0330 54 V 3.7906 7.8154 118.4634 66.1743 31.7635 178.1046 55 Q 3.9090 8.4447 117.8373 58.8940 28.5075 178.7678 56 A 4.0287 8.0258 121.4881 54.5784 18.2600 179.6112 57 V 3.4360 7.5677 117.1742 66.2108 31.2622 177.1526 58 C 3.7816 7.7484 114.6676 58.1468 39.8624 174.3045 59 S 4.6636 7.5455 114.3307 57.9723 63.8168 174.4382 60 Q 4.2053 7.2998 121.3613 56.3320 30.2264 178.0430 61 K 4.3622 8.5482 133.1914 56.6107 32.9980 174.7670 62 N 4.1287 8.7797 127.4242 53.5140 39.2679 174.2857 63 V 4.5892 8.3977 118.3882 59.1142 36.7683 174.8741 64 A 4.3135 8.3875 124.7401 52.3295 19.0270 178.5238 65 C 4.6897 8.9972 119.3768 55.8980 41.2870 174.9123 66 K 3.7063 8.8671 123.2640 59.8075 31.6250 177.4398 67 N 4.5546 8.0591 112.5476 53.0089 37.4368 175.7745 68 G 3.9449 8.1569 108.2897 45.5196 0.0000 174.3092 69 Q 4.1724 8.2539 119.1751 56.4405 29.1940 176.7197 70 T 4.4606 8.3544 108.8125 61.6839 69.2441 174.0642 71 N 5.0537 7.8871 118.7883 53.5426 38.7598 174.9270 72 C 5.2595 7.5551 116.2918 56.9050 43.9969 172.4411 73 Y 5.0760 8.9277 118.6803 56.3518 41.9497 173.9340 74 Q 5.0778 9.1324 125.6045 54.0083 31.3033 174.8647 75 S 4.4211 8.7664 122.1667 58.6862 63.0190 174.2398 76 Y 4.5290 8.9783 121.9718 60.7766 37.9106 176.7906 77 S 5.0602 7.7980 113.7636 56.6756 65.3282 174.5858 78 T 4.1000 8.2707 111.8731 62.2218 69.6277 173.4869 79 M 5.0376 9.0454 122.0738 53.3927 37.0466 174.5826 80 S 4.8847 9.3157 117.2554 58.3337 63.5312 173.0898 81 I 5.2156 9.0972 120.5075 59.4730 41.5887 174.2575 82 T 5.0028 8.9352 120.0172 62.0102 71.5226 172.8283 83 D 4.9504 9.2731 127.4879 53.5835 42.7998 174.8535 84 C 5.6012 9.3872 120.8612 55.2003 41.4928 173.0835 85 R 5.2251 8.9593 123.2375 54.2933 33.2689 173.7578 86 E 3.9845 9.3941 128.5108 56.5777 29.6570 176.9807 87 T 4.1579 8.7210 117.1737 60.9960 69.7239 175.7435 88 G 3.6901 8.6149 111.5604 48.1762 0.0000 174.7088 89 S 4.4468 7.1988 109.2001 58.1707 63.9292 174.5655 90 S 3.9862 7.3949 116.6240 58.7678 62.5737 173.3562 91 K 4.4917 8.3760 126.2325 54.3697 34.6574 174.7718 92 Y 4.3090 8.7423 127.8966 57.3543 39.1300 174.0144 93 P 3.1018 0.0000 0.0000 63.3636 32.0410 176.7161 94 N 4.6243 7.8012 119.1529 52.1639 37.0612 172.4636 95 C 4.5152 8.0853 117.9335 56.2826 41.1968 173.1395 96 A 5.0988 8.6442 125.1718 50.4299 22.1125 174.5144 97 Y 5.0892 9.2844 118.6793 55.9849 42.1790 175.0396 98 K 4.4356 9.2682 124.6627 56.1022 33.9532 175.3327 99 T 5.1245 8.5670 123.5654 62.3022 70.5784 173.9323 100 T 4.6095 8.8915 122.7192 61.7710 71.9557 172.5583 101 Q 5.0075 8.6827 127.4781 54.6986 30.8163 174.1076 102 A 4.5819 8.8315 126.3025 51.4131 23.7521 174.4518 103 N 5.3697 8.6696 116.3934 51.8497 40.2430 174.8017 104 K 4.7822 8.8852 122.4864 54.7220 37.4849 175.8407 105 H 4.9515 9.1214 119.4406 55.9521 29.9820 174.7662 106 I 4.8634 8.5833 114.8265 59.3243 40.8691 174.4198 107 I 4.8969 8.1195 123.8255 59.7114 40.3722 174.9915 108 V 4.7231 8.5890 119.6832 59.2325 35.6270 174.7073 109 A 4.8451 8.5488 125.4058 51.5789 20.0857 175.8335 110 C 5.2171 8.8486 119.2440 55.0212 41.2559 173.3941 111 E 4.6409 8.3814 119.2657 54.8560 33.3208 175.6478 *112 G 3.6114 8.3729 106.0728 45.5783 0.0000 172.9993 *127 Y 4.5304 7.9808 120.9971 57.6349 38.9354 174.1902 128 V 4.4319 7.7739 119.6217 58.3349 36.5481 173.5467 129 P 4.4360 0.0000 0.0000 62.8945 31.2088 176.8709 130 V 4.5351 8.8338 115.0268 60.8496 33.7540 175.3491 131 A 4.7171 7.5529 121.2042 50.6676 22.8147 175.2020 *134 F 4.6037 8.5018 121.8171 58.4907 39.6387 174.1254 135 D 4.5641 8.6534 127.0148 56.4081 41.7034 175.9435 136 A 4.6229 6.6567 117.3315 51.6121 22.2072 174.9889 137 S 5.2135 9.0034 113.5392 56.6153 66.1890 174.4347 138 V 4.1081 8.8470 120.5971 63.2121 31.7514 175.1187 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 4.32 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 2 E 8.04 4.51 0.00 1.97 1.77 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 2.22 2.37 0.00 3 T 8.70 4.18 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 4 A 8.51 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 5 A 8.04 4.11 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 6 A 8.12 4.29 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 7 K 8.45 4.07 0.00 2.02 2.02 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 F 8.59 4.04 0.00 3.19 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 8.30 4.04 0.00 2.34 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 2.49 2.68 0.00 10 R 7.81 3.94 0.00 1.81 2.08 0.00 3.50 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 1.61 1.66 0.00 11 Q 8.00 3.94 0.00 1.45 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 12 H 7.81 4.83 0.00 1.94 2.67 0.00 5.61 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 7.93 4.68 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 14 D 9.03 4.78 0.00 2.72 2.42 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 15 S 8.43 4.60 0.00 3.93 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 16 S 7.93 4.45 0.00 4.00 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 17 T 7.59 4.78 4.38 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 1.27 0.00 0.00 18 S 8.63 4.23 0.00 3.98 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 19 A 7.03 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.46 3.52 0.71 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 21 S 8.62 4.43 0.00 3.99 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 22 S 7.50 4.63 0.00 3.99 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 23 S 8.57 4.36 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 8.15 4.67 0.00 2.87 2.84 0.00 0.00 6.69 7.57 0.00 0.00 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 8.10 4.05 0.00 3.13 2.97 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 26 C 8.43 4.27 0.00 3.18 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 27 N 8.26 4.41 0.00 3.05 2.93 0.00 0.00 7.13 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 28 Q 7.98 3.95 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 29 M 7.73 3.69 0.00 0.61 1.15 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.54 0.00 30 M 8.09 4.01 0.00 1.64 1.81 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.36 0.00 31 K 7.87 4.02 0.00 2.04 1.94 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.17 7.81 32 S 8.24 4.23 0.00 3.99 4.01 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 33 R 7.69 4.44 0.00 1.95 2.12 0.00 3.54 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.03 0.00 34 N 7.92 4.29 0.00 2.90 2.94 0.00 0.00 6.84 7.81 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 35 L 8.16 4.55 0.00 1.79 1.64 0.80 0.65 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 36 T 7.47 5.26 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 1.47 0.00 0.00 37 K 8.29 4.14 0.00 2.06 1.93 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.03 7.81 38 D 7.78 4.75 0.00 2.54 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.14 3.80 0.00 1.86 1.69 0.00 3.07 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.00 40 C 8.62 4.74 0.00 3.22 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 41 K 8.58 4.12 0.00 1.83 1.78 0.00 1.83 0.00 0.00 1.60 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.43 7.81 42 P 0.00 4.72 0.00 2.15 2.10 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 43 V 7.56 5.01 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 0.80 0.00 0.00 0.98 0.00 0.00 44 N 9.07 4.74 0.00 2.65 2.26 0.00 0.00 6.73 6.78 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 45 T 7.86 4.81 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 0.99 0.00 0.00 46 F 8.93 4.94 0.00 3.02 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 8.83 4.46 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 1.16 0.00 0.00 1.07 0.00 0.00 48 H 8.79 5.59 0.00 3.14 3.42 0.00 5.63 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 49 E 7.67 4.78 0.00 1.95 1.85 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 2.27 2.29 0.00 50 S 8.40 4.34 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 7.93 3.97 0.00 1.80 1.75 1.02 1.20 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 52 A 8.05 3.99 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 8.08 4.32 0.00 2.84 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 7.82 3.79 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 1.28 0.00 0.00 1.05 0.00 0.00 55 Q 8.44 3.91 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 56 A 8.03 4.03 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 7.57 3.44 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 1.07 0.00 0.00 0.96 0.00 0.00 58 C 7.75 3.78 0.00 2.90 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 59 S 7.55 4.66 0.00 3.90 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 60 Q 7.30 4.21 0.00 1.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 1.72 2.15 0.00 61 K 8.55 4.36 0.00 2.08 1.83 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.46 7.81 62 N 8.78 4.13 0.00 2.65 2.60 0.00 0.00 7.00 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 8.40 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 0.67 0.00 0.00 0.81 0.00 0.00 64 A 8.39 4.31 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 9.00 4.69 0.00 3.06 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 8.87 3.71 0.00 1.97 1.85 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.27 7.81 67 N 8.06 4.55 0.00 2.85 2.90 0.00 0.00 6.19 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 8.16 3.94 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 0.00 0.00 0.00 69 Q 8.25 4.17 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 70 T 8.35 4.46 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 1.19 0.00 0.00 71 N 7.89 5.05 0.00 3.08 3.15 0.00 0.00 6.12 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 7.56 5.26 0.00 2.98 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 8.93 5.08 0.00 2.82 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 74 Q 9.13 5.08 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 75 S 8.77 4.42 0.00 3.92 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 76 Y 8.98 4.53 0.00 3.01 2.97 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 77 S 7.80 5.06 0.00 3.79 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 8.27 4.10 4.19 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 1.05 0.00 0.00 79 M 9.05 5.04 0.00 1.95 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 2.49 0.00 80 S 9.32 4.88 0.00 3.90 3.78 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 81 I 9.10 5.22 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 1.08 0.00 0.00 82 T 8.94 5.00 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 1.20 0.00 0.00 83 D 9.27 4.95 0.00 2.59 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 9.39 5.60 0.00 2.86 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 85 R 8.96 5.23 0.00 1.93 1.78 0.00 3.14 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 86 E 9.39 3.98 0.00 1.86 1.77 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 2.12 1.89 0.00 87 T 8.72 4.16 4.21 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 1.22 0.00 0.00 88 G 8.61 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 89 S 7.20 4.45 0.00 4.01 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 90 S 7.39 3.99 0.00 3.76 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 91 K 8.38 4.49 0.00 1.80 1.56 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.38 7.81 92 Y 8.74 4.31 0.00 2.97 2.87 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 93 P 0.00 3.10 0.00 1.82 1.39 0.00 3.66 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 94 N 7.80 4.62 0.00 2.79 2.75 0.00 0.00 6.92 7.24 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 95 C 8.09 4.52 0.00 3.12 3.05 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 96 A 8.64 5.10 1.12 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 0.00 0.00 97 Y 9.28 5.09 0.00 2.98 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 98 K 9.27 4.44 0.00 1.94 1.73 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.40 1.29 7.81 99 T 8.57 5.12 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 1.31 0.00 0.00 100 T 8.89 4.61 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 1.23 0.00 0.00 101 Q 8.68 5.01 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 102 A 8.83 4.58 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 0.00 103 N 8.67 5.37 0.00 2.59 2.76 0.00 0.00 6.65 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 8.89 4.78 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 105 H 9.12 4.95 0.00 3.18 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.58 4.86 1.79 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 1.27 0.94 1.17 0.00 0.00 107 I 8.12 4.90 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 0.68 0.84 0.00 0.00 108 V 8.59 4.72 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 0.71 0.00 0.00 0.79 0.00 0.00 109 A 8.55 4.85 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 0.00 110 C 8.85 5.22 0.00 2.17 1.67 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 0.00 111 E 8.38 4.64 0.00 2.03 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 0.00 2.10 2.23 0.00 *112 G 8.37 3.61 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 *127 Y 7.98 4.53 0.00 2.80 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 0.00 128 V 7.77 4.43 1.93 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 0.65 0.00 0.00 0.83 0.00 0.00 129 P 0.00 4.44 0.00 0.49 0.94 0.00 3.30 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 130 V 8.83 4.54 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 0.71 0.00 0.00 0.91 0.00 0.00 131 A 7.55 4.72 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 *134 F 8.50 4.60 0.00 2.69 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 0.00 135 D 8.65 4.56 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 6.66 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 0.00 137 S 9.00 5.21 0.00 4.08 4.14 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 0.00 138 V 8.85 4.11 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 0.94 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.