NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6273 8.2233 120.1956 53.7808 42.6825 176.1011 3 D 4.3051 8.4480 120.4238 56.3601 40.5009 177.4705 4 R 3.9155 8.1423 119.2282 59.1632 30.6325 177.7876 5 L 3.9517 7.9156 119.7659 58.0592 41.9309 178.5842 6 F 4.1935 7.8598 119.1786 61.4905 39.4740 176.9575 7 R 3.9215 8.0414 116.3393 59.2503 29.9094 178.4409 8 N 4.4075 8.3041 115.4639 56.1390 38.7224 177.7078 9 A 4.0898 7.8215 118.1439 53.0244 18.1729 179.1306 *11 G 3.6700 8.0472 109.8068 46.4178 0.0000 175.4658 12 K 4.0092 7.9555 118.3872 57.7831 32.2982 176.8189 13 F 4.6084 8.0500 121.0273 56.4944 38.7988 174.7498 14 A 4.6618 8.1139 130.5038 52.4114 19.0438 176.1173 15 T 4.5469 8.7718 109.9933 59.9480 73.1538 174.0657 16 G 4.2607 8.5283 109.3131 45.0693 0.0000 172.4895 17 V 4.7703 8.3271 118.2506 61.2828 34.9486 174.9292 18 T 5.0966 8.8083 116.8369 59.9694 72.6762 172.5898 19 V 4.4693 8.4961 122.1984 61.1056 34.2678 174.2921 20 I 4.7151 8.1635 128.7302 60.6250 38.6767 174.7999 21 T 5.1463 8.8520 117.3042 60.4276 72.1097 172.8018 22 T 4.8558 8.7175 116.7640 61.0926 71.9425 171.5354 23 E 5.0502 8.6052 124.1551 54.1142 32.3802 174.4960 24 L 4.5288 8.7250 128.4246 54.5538 44.5752 175.4875 25 N 4.0798 9.8869 120.9533 54.0379 35.6632 172.9290 26 G 4.2351 8.2217 114.4151 45.4620 0.0000 171.9245 27 A 4.0243 7.5496 123.7440 51.2200 19.0257 176.2743 28 V 4.4167 7.9674 122.4279 62.0961 32.5731 174.8187 29 H 5.0487 9.2392 125.1133 54.2372 32.1961 173.4476 30 G 4.7414 8.3973 107.1446 44.9109 0.0000 171.2548 *32 T 4.3659 8.3907 114.8681 63.3354 69.6697 173.6504 33 A 4.7410 8.8237 128.6163 50.4513 22.0872 175.7732 34 N 4.9993 8.7787 116.7936 52.5246 39.1855 175.5426 35 A 4.4135 7.7305 124.0118 51.0082 17.0326 175.3794 36 F 5.6650 7.6491 122.3912 54.6353 43.5159 173.4996 *38 S 4.0046 8.3143 115.7564 58.1589 62.8098 171.8977 39 V 4.1395 8.2980 125.9591 63.7976 33.0866 175.3397 40 S 4.6904 7.4881 113.0432 56.3569 65.6245 174.0743 41 L 4.0119 8.6597 127.9278 56.7275 42.3953 176.3021 42 N 4.8152 7.8112 116.9752 50.5611 40.0087 172.3369 43 P 4.4948 0.0000 0.0000 61.5263 32.7453 176.5609 44 K 4.4413 8.3756 117.5757 56.4504 32.1458 176.2413 45 L 5.4906 8.9114 125.4824 52.8643 45.7110 176.1102 46 V 4.8296 8.7058 119.6066 60.4620 35.5472 173.5153 47 L 5.5161 8.2302 121.8818 53.6068 45.7738 175.0236 48 V 4.8661 8.8465 123.7159 60.0035 35.3412 174.0802 49 S 5.1696 8.7221 116.6079 56.7319 64.5909 173.1296 50 I 4.6489 9.0122 128.3501 59.0959 40.3430 175.6217 51 G 3.6932 8.6327 113.9241 45.8416 0.0000 174.4072 52 E 4.0933 8.7149 121.0649 58.8519 29.6560 178.2058 53 K 4.2104 7.8935 115.6082 56.2911 32.5932 176.2428 54 A 4.3365 7.7143 123.6338 51.1565 18.9064 178.6955 55 K 3.7973 8.6258 126.2237 56.3955 32.7655 178.9733 *57 L 4.3332 8.0863 120.6492 55.1097 44.0885 178.2243 58 E 4.2792 7.9584 117.8429 58.8451 29.4554 178.8564 59 K 3.8650 7.6464 118.1026 59.4374 32.0293 179.3517 60 I 3.6500 7.4427 119.3975 64.2130 37.0644 178.0693 61 Q 4.1431 8.0928 118.9578 59.1371 28.2966 179.3114 62 Q 4.1192 7.9444 118.0876 58.9293 29.1455 178.4531 63 S 4.2085 8.0282 113.5591 59.1025 63.1970 174.6820 64 K 4.0112 8.4842 120.7218 56.5741 30.0700 174.3435 65 K 5.0935 7.5015 115.7154 56.2433 35.9050 174.3568 66 Y 4.9922 8.0063 116.4556 56.3718 41.4991 172.9583 67 A 5.1868 9.2535 122.2537 50.1579 23.1541 175.2013 68 V 4.5205 8.9830 119.6757 61.1354 34.3866 174.1958 69 N 4.9512 9.0428 126.3184 51.5259 40.6820 173.9989 70 I 4.3830 8.3707 126.3984 60.7488 38.5968 175.7293 71 L 4.9119 9.0018 128.3093 54.2228 43.2570 176.9654 72 S 4.7606 9.0933 117.8595 57.3347 64.5222 174.7484 73 Q 3.9459 8.9153 122.3258 59.6234 28.6442 177.5560 74 D 4.6750 7.8772 114.1253 54.9359 41.0639 176.4779 75 Q 4.6058 7.9784 118.7245 55.2899 29.5345 177.4440 76 K 3.4325 8.2606 121.7270 59.5609 32.1587 178.0817 77 V 3.6747 7.6246 116.8364 65.7667 31.9461 176.9654 78 L 4.1033 7.9928 119.4994 57.9958 41.2895 179.0536 79 S 4.1196 7.9711 110.4729 59.8441 62.7428 175.0687 *81 N 4.4756 8.1920 117.4246 53.6268 39.9726 175.8779 82 F 4.4915 8.4051 113.2454 58.4257 39.0323 175.9211 83 A 4.4880 7.7374 122.3456 51.3409 19.1849 177.3595 84 G 3.8719 7.9759 103.9177 47.0369 0.0000 174.8210 85 Q 4.4741 8.2242 116.5874 55.1813 29.7826 175.5626 86 L 4.7412 7.4383 118.0263 52.6557 43.8244 176.3918 87 E 4.0458 8.9100 122.3809 58.5128 29.6873 177.3469 88 K 4.5176 7.6101 118.5261 53.4250 34.1623 173.8009 89 P 4.4580 0.0000 0.0000 62.7076 31.9241 176.4974 90 V 3.8848 8.2131 115.3858 60.3872 32.5878 176.1782 91 D 4.4867 8.2928 121.9046 53.3772 40.2899 175.6321 92 V 3.8447 7.9378 126.5192 61.5781 32.8090 175.4344 93 Q 4.2436 8.2038 125.9326 55.3479 29.2867 174.8058 94 F 5.3438 8.6103 123.1685 56.3342 41.3322 175.6785 95 E 4.8473 9.2688 118.9366 55.1663 32.9930 173.6322 96 E 5.1414 8.7366 118.2828 54.9319 32.8721 175.7061 97 L 4.3967 9.0973 126.6258 55.0823 45.2610 175.6477 98 G 4.2192 9.3428 114.5790 45.4210 0.0000 173.9192 99 G 3.9011 8.5066 104.7734 44.9842 0.0000 173.7694 100 L 4.8930 7.7239 120.0461 51.6777 44.8271 174.1128 101 P 4.8003 0.0000 0.0000 63.1071 31.9163 175.9133 102 V 4.7405 8.9856 117.2594 59.3699 36.0688 174.5256 103 I 4.4304 9.0282 124.0591 59.9053 38.3599 175.8536 104 K 4.0978 8.3644 129.1363 57.8626 32.4923 176.3593 105 D 4.4674 8.9386 123.2925 54.5504 38.4194 174.0128 106 A 4.3270 7.4112 122.1691 52.1589 19.2244 177.7486 107 L 4.1649 8.7109 123.0019 57.4340 43.0947 176.9393 108 A 5.1930 7.6659 117.4740 50.8648 22.9883 174.9762 109 Q 4.9466 9.5121 118.3732 54.2424 33.2650 174.7505 110 I 4.9907 8.5323 123.4611 59.9731 41.3047 174.2400 111 S 4.9941 9.0024 123.8808 57.2197 65.1763 173.3426 112 C 5.2029 8.8152 120.5794 58.0718 32.7895 172.7502 113 Q 4.7821 8.5120 120.4814 53.8015 30.8819 175.3546 114 V 4.1990 8.5994 125.1893 63.5292 31.4974 175.9691 115 V 4.4346 8.9509 120.7697 61.6490 33.6381 175.2333 116 N 4.9885 7.8937 117.5806 52.4347 42.5675 172.7442 117 E 4.7822 8.5930 123.9700 54.6230 32.6850 174.4021 118 V 4.3199 8.4117 127.1200 60.8667 34.3260 174.3510 119 Q 4.3894 8.7158 129.3477 56.0007 30.1984 175.7795 120 A 4.3970 9.1390 129.3426 51.3671 21.2505 177.3831 121 G 3.7642 8.3180 114.4198 47.2689 0.0000 174.6878 122 D 4.5052 8.8304 125.5218 56.4883 40.8308 174.8318 123 H 5.3727 8.2651 115.4783 54.3678 34.0697 172.1552 124 T 4.8597 9.0234 115.9571 61.8179 71.9443 173.3894 125 L 4.8557 8.7064 126.6169 53.7137 43.5481 175.6537 126 F 5.0441 9.0845 124.1296 56.0479 40.6687 175.1089 127 I 4.7223 8.6628 126.4044 60.4737 38.5679 175.4965 128 G 4.4117 9.4107 114.3955 44.2506 0.0000 171.1592 129 E 4.9351 8.9847 125.4610 54.8456 31.1708 175.4131 130 V 4.1959 8.5945 128.5301 63.3591 31.4903 175.4529 131 T 4.4691 8.8520 118.5590 62.9883 70.4683 174.7820 132 D 4.9174 7.7655 119.5606 52.6456 45.6940 174.6097 133 I 4.9541 8.2530 121.0439 59.5698 41.3769 174.6396 134 K 4.6459 9.3503 126.9382 54.7939 35.4007 174.9378 135 I 5.0282 8.5468 127.0749 59.7343 40.3085 174.2944 136 T 4.6873 8.6343 113.9729 59.7994 72.8348 173.6390 137 E 4.4916 8.4412 117.8197 56.2775 29.8908 176.8446 138 Q 4.2470 7.8651 117.2300 55.8525 29.7023 175.5822 139 D 4.8337 8.3276 119.4795 53.3928 42.3941 174.2206 140 P 4.9802 0.0000 0.0000 62.0725 32.8318 175.5508 141 L 4.2658 8.6342 124.7475 55.3186 43.1681 175.7024 142 L 5.1932 8.9109 125.3274 52.9953 45.8225 175.1175 143 F 5.3571 9.2273 123.1907 56.6335 42.7145 173.4205 144 F 4.8450 8.9222 127.0631 57.8310 43.2952 174.0992 145 S 3.1758 8.8148 121.7243 59.4233 60.7798 173.5284 146 G 3.5909 7.5139 104.7691 45.3912 0.0000 173.8963 147 K 4.5091 6.9838 118.2118 54.1149 35.7917 174.9461 148 Y 5.0701 8.2788 118.5550 58.6169 38.9449 174.4977 149 H 5.1117 9.4692 119.3407 54.7176 34.1619 171.9200 150 Q 4.9635 8.4828 116.8137 53.8641 32.6576 175.7904 151 L 4.0269 8.5353 121.0283 54.3003 42.3359 177.3051 152 A 4.0410 8.5066 126.0709 52.6473 18.9229 177.5246 153 Q 4.2331 8.5950 120.6688 56.0044 29.0454 175.6526 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 8.22 4.63 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 3 D 8.45 4.31 0.00 2.87 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 4 R 8.14 3.92 0.00 1.90 1.93 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 5 L 7.92 3.95 0.00 1.82 1.86 0.93 0.91 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 6 F 7.86 4.19 0.00 2.96 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 7 R 8.04 3.92 0.00 1.96 1.97 0.00 3.31 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 8 N 8.30 4.41 0.00 2.83 2.81 0.00 0.00 7.03 6.89 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 9 A 7.82 4.09 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 *11 G 8.05 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 12 K 7.96 4.01 0.00 1.95 1.98 0.00 1.69 0.00 0.00 1.28 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.49 7.81 13 F 8.05 4.61 0.00 2.95 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 14 A 8.11 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.77 4.55 4.36 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 1.39 0.00 0.00 16 G 8.53 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 0.00 0.00 0.00 0.00 17 V 8.33 4.77 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 1.08 0.00 0.00 1.11 0.00 0.00 18 T 8.81 5.10 4.09 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 0.95 0.00 0.00 19 V 8.50 4.47 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.86 0.00 0.00 20 I 8.16 4.72 1.75 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 1.30 0.86 0.72 0.00 0.00 21 T 8.85 5.15 4.13 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 1.11 0.00 0.00 22 T 8.72 4.86 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 1.18 0.00 0.00 23 E 8.61 5.05 0.00 1.88 1.73 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 2.26 2.17 0.00 24 L 8.72 4.53 0.00 1.72 1.49 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.89 4.08 0.00 2.82 2.82 0.00 0.00 7.30 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 26 G 8.22 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 0.00 0.00 0.00 0.00 27 A 7.55 4.02 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 28 V 7.97 4.42 1.62 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 -0.17 0.00 0.00 0.52 0.00 0.00 29 H 9.24 5.05 0.00 3.03 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.40 4.74 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 0.00 0.00 0.00 *32 T 8.39 4.37 4.29 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 1.20 0.00 0.00 33 A 8.82 4.74 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 34 N 8.78 5.00 0.00 3.03 2.90 0.00 0.00 6.09 7.26 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 35 A 7.73 4.41 1.35 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 36 F 7.65 5.67 0.00 2.93 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 *38 S 8.31 4.00 0.00 3.84 3.74 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 39 V 8.30 4.14 2.20 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 0.81 0.00 0.00 0.89 0.00 0.00 40 S 7.49 4.69 0.00 3.83 3.62 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 41 L 8.66 4.01 0.00 1.62 1.66 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.81 4.82 0.00 2.70 2.72 0.00 0.00 6.93 8.02 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 43 P 0.00 4.49 0.00 2.18 2.07 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 K 8.38 4.44 0.00 1.75 1.85 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.54 7.81 45 L 8.91 5.49 0.00 1.56 1.54 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.71 4.83 2.28 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 1.22 0.00 0.00 1.08 0.00 0.00 47 L 8.23 5.52 0.00 1.71 1.44 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.85 4.87 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 0.20 0.00 0.00 0.96 0.00 0.00 49 S 8.72 5.17 0.00 3.94 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 50 I 9.01 4.65 2.15 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 1.16 0.58 0.97 0.00 0.00 51 G 8.63 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 52 E 8.71 4.09 0.00 2.10 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 0.00 2.36 2.28 0.00 53 K 7.89 4.21 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 A 7.71 4.34 1.29 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 55 K 8.63 3.80 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.47 7.81 *57 L 8.09 4.33 0.00 1.82 1.80 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.96 4.28 0.00 2.20 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 0.00 2.48 2.19 0.00 59 K 7.65 3.86 0.00 1.73 1.81 0.00 1.36 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.59 1.47 7.81 60 I 7.44 3.65 1.01 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.46 0.29 0.00 0.00 61 Q 8.09 4.14 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.90 2.88 0.00 62 Q 7.94 4.12 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 63 S 8.03 4.21 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 64 K 8.48 4.01 0.00 1.95 1.94 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.52 7.81 65 K 7.50 5.09 0.00 1.79 1.67 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.35 7.81 66 Y 8.01 4.99 0.00 3.09 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 67 A 9.25 5.19 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 68 V 8.98 4.52 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 0.06 0.00 0.00 1.08 0.00 0.00 69 N 9.04 4.95 0.00 2.59 2.66 0.00 0.00 6.59 7.40 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 70 I 8.37 4.38 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.47 0.92 0.00 0.00 71 L 9.00 4.91 0.00 1.65 1.57 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.09 4.76 0.00 3.99 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 73 Q 8.92 3.95 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.10 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 74 D 7.88 4.68 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 75 Q 7.98 4.61 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.26 3.43 0.00 1.47 1.67 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.02 0.28 7.81 77 V 7.62 3.67 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.99 4.10 0.00 1.96 1.90 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.97 4.12 0.00 3.89 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 *81 N 8.19 4.48 0.00 2.75 2.66 0.00 0.00 7.14 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 82 F 8.41 4.49 0.00 3.11 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 83 A 7.74 4.49 1.38 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 0.00 0.00 0.00 84 G 7.98 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 0.00 0.00 0.00 85 Q 8.22 4.47 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 86 L 7.44 4.74 0.00 1.56 1.52 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.91 4.05 0.00 1.94 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 2.31 2.24 0.00 88 K 7.61 4.52 0.00 1.65 1.64 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.39 7.81 89 P 0.00 4.46 0.00 2.02 1.87 0.00 3.69 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 1.99 2.06 0.00 90 V 8.21 3.88 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 0.53 0.00 0.00 0.80 0.00 0.00 91 D 8.29 4.49 0.00 2.59 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 92 V 7.94 3.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.87 0.00 0.00 93 Q 8.20 4.24 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 94 F 8.61 5.34 0.00 2.95 2.93 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 95 E 9.27 4.85 0.00 1.96 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 2.21 2.26 0.00 96 E 8.74 5.14 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 97 L 9.10 4.40 0.00 1.70 1.44 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.34 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 0.00 0.00 0.00 0.00 99 G 8.51 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 0.00 100 L 7.72 4.89 0.00 1.69 1.52 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.80 0.00 1.67 1.81 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 102 V 8.99 4.74 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 0.70 0.00 0.00 1.04 0.00 0.00 103 I 9.03 4.43 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.30 0.84 0.00 0.00 104 K 8.36 4.10 0.00 1.77 1.70 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.40 7.81 105 D 8.94 4.47 0.00 2.85 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 0.00 106 A 7.41 4.33 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 0.00 107 L 8.71 4.16 0.00 1.80 1.94 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.67 5.19 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 0.00 109 Q 9.51 4.95 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 110 I 8.53 4.99 1.88 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 1.28 0.74 0.98 0.00 0.00 111 S 9.00 4.99 0.00 3.72 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 0.00 112 C 8.82 5.20 0.00 1.87 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 0.00 113 Q 8.51 4.78 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.60 4.20 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 1.03 0.00 0.00 1.11 0.00 0.00 115 V 8.95 4.43 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 0.71 0.00 0.00 1.00 0.00 0.00 116 N 7.89 4.99 0.00 2.78 2.62 0.00 0.00 6.58 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 0.00 117 E 8.59 4.78 0.00 1.91 1.73 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 2.00 1.72 0.00 118 V 8.41 4.32 2.01 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 0.92 0.00 0.00 0.89 0.00 0.00 119 Q 8.72 4.39 0.00 2.05 1.94 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 2.31 2.33 0.00 120 A 9.14 4.40 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 0.00 121 G 8.32 3.76 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 0.00 0.00 0.00 122 D 8.83 4.51 0.00 2.85 2.93 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 0.00 123 H 8.27 5.37 0.00 3.22 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 9.02 4.86 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 0.53 0.00 0.00 125 L 8.71 4.86 0.00 1.49 1.57 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.08 5.04 0.00 2.91 3.20 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 0.00 127 I 8.66 4.72 1.94 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 1.21 0.68 0.96 0.00 0.00 128 G 9.41 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 0.00 0.00 0.00 0.00 129 E 8.98 4.94 0.00 2.04 1.81 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 2.25 2.41 0.00 130 V 8.59 4.20 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 0.87 0.00 0.00 0.98 0.00 0.00 131 T 8.85 4.47 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 1.23 0.00 0.00 132 D 7.77 4.92 0.00 2.55 2.52 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 0.00 133 I 8.25 4.95 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.93 0.00 0.00 134 K 9.35 4.65 0.00 1.74 1.59 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 135 I 8.55 5.03 1.88 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 1.42 0.81 0.92 0.00 0.00 136 T 8.63 4.69 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 1.27 0.00 0.00 137 E 8.44 4.49 0.00 1.97 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 0.00 2.23 2.25 0.00 138 Q 7.87 4.25 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 139 D 8.33 4.83 0.00 2.61 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 0.00 140 P 0.00 4.98 0.00 2.11 2.06 0.00 3.78 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 1.97 0.00 141 L 8.63 4.27 0.00 2.00 1.64 0.94 0.36 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 0.00 142 L 8.91 5.19 0.00 1.85 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.23 5.36 0.00 3.04 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 0.00 144 F 8.92 4.84 0.00 2.98 2.66 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 0.00 0.00 0.00 0.00 145 S 8.81 3.18 0.00 3.29 3.47 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 0.00 146 G 7.51 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 0.00 147 K 6.98 4.51 0.00 1.79 1.53 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.24 7.81 148 Y 8.28 5.07 0.00 2.98 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 0.00 149 H 9.47 5.11 0.00 3.08 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.48 4.96 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 151 L 8.54 4.03 0.00 1.63 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.51 4.04 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 0.00 153 Q 8.60 4.23 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.