NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 H 4.7489 8.4293 117.3773 53.9475 30.3728 173.4485 4 E 4.3942 8.1379 113.2299 56.7276 30.1099 174.4522 5 H 4.6973 8.7755 116.8920 55.9670 30.1681 175.4717 6 C 4.2905 7.8876 118.4778 60.0356 29.1216 174.1428 7 C 4.0924 8.7383 124.6043 57.5460 39.4898 172.0955 8 S 4.5169 8.3137 118.8308 56.7913 65.9650 174.8870 9 E 3.5947 8.5874 120.4319 59.7654 28.9783 179.5001 10 E 3.8353 8.0414 117.4310 59.9538 29.6407 178.4118 11 D 4.2827 7.8334 117.8954 58.6203 40.8279 179.1435 12 H 4.0850 8.7170 115.5679 58.4850 28.7128 177.4017 13 R 3.7298 8.1871 121.9705 59.5038 29.6476 178.4698 14 I 3.6033 7.8991 119.7012 64.2372 37.1350 178.0587 15 V 2.8600 7.4071 118.8541 66.2047 30.8931 177.7779 16 Q 4.0135 8.3374 116.6716 59.0724 28.8549 178.9953 17 K 4.0907 8.0038 120.1373 59.8806 32.0070 178.8853 18 Q 4.1447 8.5704 118.5773 58.6144 28.8302 178.3218 19 W 4.4083 9.0067 129.5195 59.9561 30.6193 177.5990 20 D 4.2030 7.9094 118.5908 56.7425 40.0879 178.2250 21 I 3.5663 7.0824 119.6873 64.2819 37.0222 178.0863 22 L 3.6552 6.3495 117.6746 57.0921 41.3647 179.0516 23 W 5.0540 6.3813 116.7501 57.3903 29.2888 178.4718 24 R 4.1086 8.1811 120.3037 58.4096 30.3362 176.9753 25 D 4.9176 7.8203 116.9438 51.4465 41.1131 177.3857 26 T 3.9695 8.5409 111.8149 64.6281 68.9693 173.9262 27 E 4.3885 7.6436 122.5949 55.8369 29.6207 178.4108 28 S 4.0349 8.0726 116.9853 61.5619 63.0575 175.3657 29 S 3.9429 7.9769 117.3419 61.3661 62.4272 176.1389 30 K 3.8119 8.0847 123.3706 59.5690 31.7430 177.8915 31 I 3.8984 7.6707 120.0827 63.0684 36.9543 178.2327 32 K 4.0808 8.8095 119.3095 60.4518 31.9047 178.6682 33 I 3.7984 8.2879 120.3080 63.8548 36.8577 178.2789 34 G 4.2767 8.3870 106.1086 48.2227 0.0000 175.0605 35 F 4.3609 9.0827 123.6789 61.0350 39.5649 177.4413 36 G 3.6425 8.8732 105.7994 47.6200 0.0000 175.3450 37 R 3.8778 9.0305 121.9053 59.2349 30.1210 178.1002 38 L 3.9207 8.1247 120.0723 58.2974 41.8470 178.7974 39 L 3.7652 7.6992 117.6097 57.9784 41.8344 179.4324 40 L 4.3904 8.1067 118.5485 58.1469 41.5606 179.2569 41 T 3.9021 8.2692 115.9285 66.8918 68.4752 176.3158 42 K 3.9072 8.5634 121.3081 58.7445 32.0350 178.5195 43 L 4.1193 8.0531 120.5365 58.3480 42.0743 178.4564 44 A 4.2095 8.0943 118.5237 54.7045 18.2917 179.1784 45 K 4.0315 7.9971 117.9030 59.9886 32.4855 178.5391 46 D 4.8451 7.5869 115.6032 55.4845 41.3394 176.7642 47 I 4.4709 8.0408 120.4563 58.0430 39.3077 173.5975 48 P 4.3581 0.0000 0.0000 65.4262 31.0299 177.6568 49 E 4.0429 8.1940 115.2853 58.1640 29.5576 178.6579 50 V 3.5198 7.4853 120.3454 66.1014 30.4173 177.1597 51 N 4.3201 8.4005 116.6543 56.9746 37.8537 176.9082 52 D 4.5690 7.9931 119.2065 56.8150 40.7612 178.6854 53 L 3.9999 8.0262 119.5417 57.4760 42.0538 178.4501 54 F 5.0269 7.2241 113.1190 57.5867 38.7802 177.4463 55 K 3.9277 7.6331 121.5332 59.7275 31.7768 178.6022 56 R 3.9343 8.1329 117.1875 58.9112 29.7740 177.5260 57 V 4.2954 7.3930 109.7018 60.0847 33.7135 175.4064 58 D 4.3216 8.3338 116.1283 55.4459 39.7492 174.8480 59 I 2.6431 7.4415 117.8659 62.9841 38.7836 176.0067 60 E 3.9278 8.1483 120.3117 58.9116 29.7297 176.3246 61 H 4.5977 7.8285 117.1993 53.0278 28.0377 174.4603 62 A 3.9611 8.3953 126.5346 55.0929 18.3014 179.0158 63 E 4.3104 8.1678 110.0173 57.0145 30.5491 177.5771 64 G 3.7458 8.5630 109.6159 44.0349 0.0000 172.2168 65 P 4.2299 0.0000 0.0000 66.2450 30.7688 178.3182 66 K 3.8291 8.2125 117.7220 59.4199 31.8964 178.6462 67 F 4.4410 8.1971 119.7682 61.2759 39.3072 177.0751 68 S 3.9357 8.2386 113.7878 61.6672 62.9517 176.3742 69 A 4.0518 8.4353 123.3805 55.4479 18.1156 178.7968 70 H 3.8295 7.6760 114.8739 59.5675 29.8202 176.7525 71 A 3.5398 8.0146 122.7392 55.6004 17.4972 179.3162 72 L 3.8354 7.8707 117.0642 57.6068 41.4704 179.7994 73 R 3.9238 7.6163 117.5691 59.7054 30.4718 178.2439 74 I 3.6962 7.7372 118.3037 63.8022 38.1309 177.2394 75 L 4.1166 7.9998 120.9928 58.7204 41.9651 178.9167 76 N 4.5956 9.6361 117.1869 56.2699 38.7429 177.2556 77 G 3.6066 8.4646 108.0977 47.5991 0.0000 175.3917 78 L 3.9524 8.0571 122.4848 57.9718 41.9922 178.1675 79 D 4.4751 8.1453 117.4406 57.2883 41.0146 177.6477 80 L 3.9069 7.8907 119.7408 58.4450 42.3367 178.5070 81 A 4.1134 8.1598 120.2861 55.4935 18.2549 179.4698 82 I 3.4602 7.8065 117.7032 64.6507 37.0917 178.2307 83 N 4.6345 8.6686 114.4392 54.6685 38.1233 175.5902 84 L 4.6475 7.4912 119.9259 54.1851 42.4956 178.1457 85 L 3.5311 7.7804 120.5654 57.2339 42.1458 177.6463 86 D 4.5746 7.0588 119.5711 51.3513 40.3812 176.7322 87 D 5.4054 7.5222 129.7115 53.4044 43.3961 174.5744 88 P 4.1787 0.0000 0.0000 65.4681 31.7688 176.3302 89 P 4.1669 0.0000 0.0000 65.2407 31.0379 178.0772 90 A 3.9125 8.1990 120.6518 54.6426 18.3092 179.0101 91 L 3.8277 7.9863 118.9099 58.8520 42.0318 178.1660 92 D 4.2805 8.7974 117.7775 57.4718 41.0143 177.8631 93 A 3.9660 8.3449 120.3682 55.5170 17.9776 179.2475 94 A 3.9646 8.5961 119.1449 55.5596 18.2752 179.9509 95 L 4.0031 8.2505 117.3969 57.7968 41.8160 178.7805 96 D 4.3181 8.4558 118.5075 57.8538 41.0744 177.8914 97 H 4.1678 8.4068 118.3813 59.5659 29.6138 177.2088 98 L 4.1032 7.4741 118.1249 57.3978 41.5567 179.1385 99 A 4.9028 8.0423 122.5203 55.2416 17.9638 179.2578 100 H 4.0712 8.0729 114.5313 59.2734 28.5849 177.9094 101 Q 4.1166 8.0462 118.1264 58.1616 28.9240 177.2267 102 H 4.7087 8.3513 116.7815 56.2663 29.7099 176.5929 103 E 4.0246 7.5750 120.7620 59.4911 29.4832 178.1221 104 V 3.9745 7.7799 107.6680 61.9796 31.2046 176.9960 105 R 4.4873 7.4830 121.9469 53.5945 29.2674 174.8717 106 E 3.9852 8.1490 119.3763 57.2976 30.3974 177.1423 107 G 4.0124 8.8972 109.6209 46.1530 0.0000 174.1763 108 V 3.9412 7.3531 119.4823 62.3011 31.4324 175.0268 109 Q 4.7330 8.3046 124.8988 53.7250 31.6238 176.4616 110 K 3.7283 8.7935 118.2156 60.0969 32.1824 179.0693 111 A 4.0552 8.2241 119.9766 55.6648 17.9244 179.3750 112 H 4.3168 8.3293 114.7134 59.1940 28.8836 177.9126 113 F 4.0441 8.8331 119.5355 60.4450 38.9123 177.3043 114 K 3.9123 8.4571 118.8621 59.6847 31.7191 178.3215 115 K 3.9510 8.0777 118.9413 59.6767 32.2238 178.3404 116 F 4.1070 8.7664 121.5140 61.3260 39.0095 177.4050 117 G 3.6313 8.8744 105.4999 47.9871 0.0000 175.4530 118 E 3.9833 8.0784 121.4246 59.0600 29.4448 179.7459 119 I 3.6261 7.9113 119.9325 64.2454 37.2015 178.2015 120 L 3.6791 7.9076 121.3612 58.0254 41.6221 178.8618 121 A 4.0643 8.0757 119.8097 54.7241 18.3864 178.9505 122 T 4.2100 7.3075 113.1706 64.8635 69.1770 177.2444 123 G 3.7109 7.7459 108.0928 47.4574 0.0000 175.5278 124 L 3.7425 7.6567 122.4848 56.9488 41.4778 177.8493 125 P 3.8786 0.0000 0.0000 64.6126 31.0608 177.0342 126 Q 4.2187 8.0617 117.4841 56.8940 29.2290 176.4673 127 V 4.0920 7.7236 111.5551 60.7358 33.5191 175.5253 128 L 4.5482 7.3934 119.8077 52.5075 42.9771 176.1233 129 D 4.2904 8.7663 124.1137 55.3002 39.7267 175.5346 130 D 4.7682 7.9288 119.2262 52.3917 41.3643 174.3426 131 Y 4.8824 8.3768 126.9086 55.8744 41.8832 174.7857 132 D 4.6358 7.8154 126.4107 51.3257 41.0611 175.8588 133 A 3.6691 8.0435 126.3059 54.7324 18.6202 178.8844 134 L 3.9020 7.9265 116.3388 57.9420 41.7611 179.4110 135 A 3.8931 8.5037 120.6658 55.0234 18.2833 179.4139 136 W 3.9380 8.0086 117.2345 59.9224 29.2566 178.3582 137 K 3.9274 8.5848 119.6729 59.9186 31.0728 178.5488 138 S 4.1554 7.9957 114.8974 62.0333 62.8232 176.3275 139 C 4.2814 8.1290 118.7516 60.0726 38.0747 175.9787 140 L 3.9920 8.7224 121.1172 57.8516 41.1045 179.3328 141 K 4.0254 8.3473 119.5072 59.6241 32.2938 178.6808 142 G 3.8541 7.8534 105.0515 48.4480 0.0000 175.1725 143 I 3.7892 7.9238 121.9285 63.8298 36.9768 178.1154 144 L 4.2131 8.3620 120.0599 58.6304 42.0419 179.7265 145 T 3.9536 8.2996 115.5223 66.7159 68.2673 176.5597 146 K 3.9065 7.7366 119.7549 59.6105 32.3337 178.5464 147 I 3.9259 7.9237 120.5598 63.4239 37.1074 177.3315 148 S 4.2493 7.4335 112.6177 57.7625 62.8550 176.0836 149 S 4.2437 7.4834 113.5229 59.2245 62.0449 174.9695 150 R 4.4206 8.1575 120.9244 55.5246 31.5524 175.1925 151 L 4.0402 8.0022 121.4003 55.0952 42.5774 175.5424 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 *3 H 8.43 4.75 0.00 2.95 3.05 0.00 7.13 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.14 4.39 0.00 2.04 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 2.06 2.12 0.00 5 H 8.78 4.70 0.00 3.17 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 7.89 4.29 0.00 2.96 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 7 C 8.74 4.09 0.00 3.16 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 8 S 8.31 4.52 0.00 4.10 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 9 E 8.59 3.59 0.00 1.93 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 2.40 2.35 0.00 10 E 8.04 3.84 0.00 1.92 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 2.32 0.00 11 D 7.83 4.28 0.00 2.84 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 12 H 8.72 4.09 0.00 3.15 3.45 0.00 5.28 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.19 3.73 0.00 1.93 2.06 0.00 3.08 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 14 I 7.90 3.60 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.77 0.90 0.00 0.00 15 V 7.41 2.86 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 -0.48 0.00 0.00 0.18 0.00 0.00 16 Q 8.34 4.01 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 17 K 8.00 4.09 0.00 1.96 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 18 Q 8.57 4.14 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 19 W 9.01 4.41 0.00 3.67 3.33 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 20 D 7.91 4.20 0.00 2.99 2.65 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 21 I 7.08 3.57 1.76 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.81 0.00 0.00 22 L 6.35 3.66 0.00 0.27 0.13 -0.59 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 23 W 6.38 5.05 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 4.11 0.00 1.78 1.98 0.00 3.16 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 25 D 7.82 4.92 0.00 2.86 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 26 T 8.54 3.97 4.23 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 1.21 0.00 0.00 27 E 7.64 4.39 0.00 2.12 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 2.30 2.38 0.00 28 S 8.07 4.03 0.00 3.46 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 29 S 7.98 3.94 0.00 4.01 4.11 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 0.00 0.00 0.00 0.00 30 K 8.08 3.81 0.00 1.87 1.96 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.63 7.81 31 I 7.67 3.90 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 1.16 0.00 0.00 32 K 8.81 4.08 0.00 1.65 1.82 0.00 1.32 0.00 0.00 1.41 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.78 7.81 33 I 8.29 3.80 1.95 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 1.39 0.92 0.90 0.00 0.00 34 G 8.39 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 0.00 0.00 0.00 0.00 35 F 9.08 4.36 0.00 3.19 3.22 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 36 G 8.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.03 3.88 0.00 1.79 2.25 0.00 3.34 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 38 L 8.12 3.92 0.00 1.80 1.81 0.93 0.81 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 39 L 7.70 3.77 0.00 1.66 1.62 0.53 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.11 4.39 0.00 2.04 1.91 0.48 0.68 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 41 T 8.27 3.90 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 42 K 8.56 3.91 0.00 1.80 1.85 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.47 7.81 43 L 8.05 4.12 0.00 2.11 2.07 1.04 0.90 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 44 A 8.09 4.21 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 45 K 8.00 4.03 0.00 1.75 1.96 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 D 7.59 4.85 0.00 2.77 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 47 I 8.04 4.47 1.92 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 1.40 0.75 0.99 0.00 0.00 48 P 0.00 4.36 0.00 2.26 2.31 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 49 E 8.19 4.04 0.00 2.15 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 2.34 2.47 0.00 50 V 7.49 3.52 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 0.80 0.00 0.00 0.75 0.00 0.00 51 N 8.40 4.32 0.00 2.93 2.88 0.00 0.00 7.08 7.84 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 52 D 7.99 4.57 0.00 2.69 2.69 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 53 L 8.03 4.00 0.00 1.12 1.44 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 F 7.22 5.03 0.00 3.07 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 55 K 7.63 3.93 0.00 2.02 1.87 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 56 R 8.13 3.93 0.00 1.88 2.03 0.00 3.47 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 57 V 7.39 4.30 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 0.78 0.00 0.00 1.05 0.00 0.00 58 D 8.33 4.32 0.00 2.87 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 59 I 7.44 2.64 1.78 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 0.89 -0.21 0.97 0.00 0.00 60 E 8.15 3.93 0.00 1.94 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 0.00 2.25 2.30 0.00 61 H 7.83 4.60 0.00 3.60 3.24 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.40 3.96 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 63 E 8.17 4.31 0.00 2.13 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 0.00 2.30 2.27 0.00 64 G 8.56 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 65 P 0.00 4.23 0.00 2.28 2.37 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 66 K 8.21 3.83 0.00 1.83 2.16 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.49 7.81 67 F 8.20 4.44 0.00 3.32 3.18 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 68 S 8.24 3.94 0.00 4.00 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 69 A 8.44 4.05 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 70 H 7.68 3.83 0.00 3.20 3.21 0.00 5.82 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 71 A 8.01 3.54 1.03 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 72 L 7.87 3.84 0.00 1.86 1.62 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.62 3.92 0.00 1.82 1.95 0.00 3.20 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 74 I 7.74 3.70 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.76 0.00 0.00 75 L 8.00 4.12 0.00 1.96 1.91 1.31 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 76 N 9.64 4.60 0.00 3.00 2.91 0.00 0.00 7.12 7.78 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 77 G 8.46 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 78 L 8.06 3.95 0.00 1.87 2.06 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.15 4.48 0.00 3.20 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 80 L 7.89 3.91 0.00 1.71 1.99 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.16 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.81 3.46 1.73 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.43 0.67 0.00 0.00 83 N 8.67 4.63 0.00 2.81 2.93 0.00 0.00 6.97 7.99 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 84 L 7.49 4.65 0.00 1.81 1.62 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.78 3.53 0.00 1.68 1.41 0.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.06 4.57 0.00 2.42 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 87 D 7.52 5.41 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.18 0.00 2.29 2.29 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 89 P 0.00 4.17 0.00 2.28 2.35 0.00 3.69 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 2.35 2.03 0.00 90 A 8.20 3.91 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 91 L 7.99 3.83 0.00 1.89 1.83 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.80 4.28 0.00 2.99 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 93 A 8.34 3.97 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 94 A 8.60 3.96 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 95 L 8.25 4.00 0.00 1.85 1.73 0.92 1.25 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 96 D 8.46 4.32 0.00 2.76 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 97 H 8.41 4.17 0.00 3.35 3.54 0.00 5.64 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 98 L 7.47 4.10 0.00 1.94 1.78 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.04 4.90 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 0.00 100 H 8.07 4.07 0.00 3.33 3.33 0.00 5.62 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 0.00 101 Q 8.05 4.12 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 102 H 8.35 4.71 0.00 3.38 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.57 4.02 0.00 1.92 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 2.33 2.27 0.00 104 V 7.78 3.97 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 0.77 0.00 0.00 0.94 0.00 0.00 105 R 7.48 4.49 0.00 1.97 1.85 0.00 3.30 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 106 E 8.15 3.99 0.00 2.07 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 2.28 2.31 0.00 107 G 8.90 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 0.00 0.00 0.00 108 V 7.35 3.94 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 1.06 0.00 0.00 0.94 0.00 0.00 109 Q 8.30 4.73 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.59 0.00 0.00 0.00 0.00 0.00 1.96 2.11 0.00 110 K 8.79 3.73 0.00 1.79 1.91 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.45 7.81 111 A 8.22 4.06 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 0.00 112 H 8.33 4.32 0.00 3.65 3.40 0.00 5.65 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 0.00 113 F 8.83 4.04 0.00 3.24 3.21 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 0.00 114 K 8.46 3.91 0.00 1.90 2.09 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.59 7.81 115 K 8.08 3.95 0.00 2.20 1.88 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.64 7.81 116 F 8.77 4.11 0.00 3.06 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 0.00 117 G 8.87 3.63 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 0.00 0.00 0.00 118 E 8.08 3.98 0.00 2.23 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 0.00 2.36 2.60 0.00 119 I 7.91 3.63 1.71 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.72 0.00 0.00 120 L 7.91 3.68 0.00 1.29 1.68 0.89 1.04 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 0.00 121 A 8.08 4.06 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 0.00 122 T 7.31 4.21 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 1.16 0.00 0.00 123 G 7.75 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 0.00 124 L 7.66 3.74 0.00 0.89 1.07 0.21 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 3.88 0.00 1.94 1.28 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 126 Q 8.06 4.22 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 127 V 7.72 4.09 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 0.55 0.00 0.00 0.47 0.00 0.00 128 L 7.39 4.55 0.00 1.52 1.55 0.85 0.77 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 0.00 129 D 8.77 4.29 0.00 2.77 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 0.00 130 D 7.93 4.77 0.00 2.66 2.67 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 0.00 131 Y 8.38 4.88 0.00 2.75 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 0.00 132 D 7.82 4.64 0.00 2.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 3.67 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 0.00 0.00 134 L 7.93 3.90 0.00 1.84 1.73 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.50 3.89 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 0.00 136 W 8.01 3.94 0.00 3.36 3.41 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 0.00 137 K 8.58 3.93 0.00 1.97 1.90 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.59 7.81 138 S 8.00 4.16 0.00 4.15 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 0.00 139 C 8.13 4.28 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.72 3.99 0.00 1.88 1.89 1.19 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.35 4.03 0.00 2.00 2.03 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 142 G 7.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.92 3.79 2.07 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 1.51 0.72 0.96 0.00 0.00 144 L 8.36 4.21 0.00 1.78 2.06 1.12 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.30 3.95 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 1.19 0.00 0.00 146 K 7.74 3.91 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 147 I 7.92 3.93 2.17 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 1.62 0.71 0.99 0.00 0.00 148 S 7.43 4.25 0.00 3.34 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 0.00 149 S 7.48 4.24 0.00 3.94 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 0.00 150 R 8.16 4.42 0.00 1.61 1.80 0.00 2.98 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 151 L 8.00 4.04 0.00 1.51 1.45 0.76 0.91 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 * Residues marked with a * may have inaccurate shift predictions.