NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9356 8.3549 109.7493 45.1793 0.0000 173.6723 2 L 4.2577 7.7364 118.8523 51.1295 43.1267 175.6296 3 S 4.5448 9.4525 118.3810 57.8683 66.3566 174.9297 4 D 4.6568 8.6674 121.4380 57.4827 40.5088 179.2763 5 G 3.6581 8.0751 105.9074 47.7242 0.0000 175.5511 6 E 3.9677 8.0886 120.9122 58.9021 29.3974 179.3283 7 W 4.4071 8.2670 119.2466 59.9045 29.0559 178.5059 8 Q 4.1270 8.4250 117.9944 59.0338 28.2355 178.9283 9 L 4.0274 8.0257 119.9572 57.7260 41.5761 179.7963 10 V 3.7128 8.1128 118.2427 66.2514 31.6933 178.2280 11 L 4.2123 8.6049 118.9782 57.7171 41.1576 179.3270 12 N 4.4540 8.3565 116.3181 56.3872 38.8116 177.5552 13 V 3.8194 7.9956 113.7867 63.9323 31.6905 178.4081 14 W 3.9851 8.8117 128.6492 60.1024 29.9511 177.9768 15 G 3.8435 8.1351 105.7737 47.9859 0.0000 175.7194 16 K 3.9151 7.7694 119.5409 58.7927 32.2032 179.4497 17 V 2.8885 6.8194 118.2873 65.6185 31.1761 177.8030 18 E 3.8367 7.8591 116.8989 58.7406 29.3180 178.4361 19 A 4.2354 7.2952 118.3517 52.9227 20.3323 177.3939 20 D 4.6098 7.7445 114.9229 52.3194 43.4430 175.7925 21 V 3.4413 7.7472 124.1748 66.0070 32.1193 176.8076 22 A 4.0730 8.0211 120.1203 55.0292 18.2798 179.6896 23 G 3.4780 8.1848 103.9318 48.2271 0.0000 175.7711 24 H 4.1427 8.1716 118.4043 58.4707 28.7176 178.2165 25 G 3.5573 8.3814 107.9205 47.5853 0.0000 175.4868 26 Q 3.8668 8.3266 122.3038 59.1038 29.0490 178.3209 27 E 3.8485 7.9580 119.3901 59.2667 29.3928 179.4297 28 V 3.4943 7.9824 118.5539 66.2025 31.5845 178.1866 29 L 3.4753 7.7490 118.4726 57.4483 41.3106 179.6481 30 I 3.6866 7.7434 119.9995 64.3301 37.0323 178.6202 31 R 3.8507 8.0539 119.1225 58.9706 29.7741 178.7073 32 L 3.8896 7.9643 120.4274 58.4884 41.8653 179.2545 33 F 4.5047 7.6000 115.8983 60.0132 38.9248 177.2773 34 K 4.3683 8.2125 116.7944 57.6697 32.2508 178.6308 35 G 3.8031 7.7701 105.4374 45.7747 0.0000 173.7587 36 H 4.7410 8.2270 118.3094 51.6669 29.9306 171.6162 37 P 4.4155 0.0000 0.0000 65.5915 31.3767 177.3807 38 E 4.2201 8.2633 115.4014 58.9739 29.5779 178.9765 39 T 3.7922 8.1281 111.4491 64.5026 68.8155 176.3502 40 L 3.5845 7.9133 122.9994 57.8855 41.7558 178.6343 41 E 3.9978 7.6634 117.3630 59.2043 29.4642 178.8270 42 K 4.4306 8.0408 116.3955 56.7406 32.8688 177.1814 43 F 4.5002 8.2696 119.6283 55.1728 39.1588 175.6201 44 D 4.3499 8.4326 126.3895 57.1987 40.9021 179.4880 45 K 4.1609 7.8145 116.5611 58.4231 32.1118 177.4706 46 F 5.1774 7.7717 117.0112 57.1865 39.4242 177.0637 47 K 3.9802 7.4728 120.7128 59.5807 31.9473 179.1313 48 H 4.0142 7.8047 114.0077 57.7792 28.4606 174.8619 49 L 4.4833 7.8393 121.1148 54.5682 41.3928 176.6989 50 K 4.5023 8.7493 122.8337 56.1602 33.1419 176.6549 51 S 4.6201 7.2888 113.1791 56.0677 66.7639 174.7329 52 E 3.8882 8.7045 122.9995 59.4285 29.2938 178.8610 53 D 4.3179 7.9994 118.7645 57.3470 40.7435 178.3566 54 E 3.9980 8.1042 118.2551 59.5386 29.5862 178.8761 55 M 4.1038 8.2955 119.0637 58.3950 31.7807 178.9964 56 K 3.9256 8.0681 117.5324 59.2306 32.3039 178.8633 57 A 4.3199 7.6498 119.1393 52.7930 18.8321 177.3636 58 S 4.1740 7.4620 113.7376 57.8672 62.5785 174.6599 59 E 4.0771 8.8070 127.7839 59.5088 29.5506 178.6496 60 D 4.5962 8.1683 119.5013 56.8575 40.9103 178.2895 61 L 3.4903 8.0728 121.4060 57.8196 41.9902 178.8381 62 K 3.8666 7.8017 119.1380 59.3870 32.1205 178.5124 63 K 3.9245 8.5216 120.2984 59.9326 32.0463 178.2713 64 H 4.3966 8.7046 118.6648 59.1241 29.8138 177.4715 65 G 3.5681 8.6536 108.1917 47.6317 0.0000 175.1961 66 N 4.3218 8.4441 119.6217 56.8677 39.0247 177.0903 67 T 3.8859 8.0312 117.1179 66.5253 68.5289 176.0818 68 N 4.2605 8.3283 119.0357 56.9553 39.0132 177.0633 69 L 4.2352 8.1610 120.2920 57.8501 41.7129 179.5575 70 T 3.9657 8.4119 116.1211 66.6845 68.4073 176.3997 71 A 3.9929 8.0349 122.6006 54.9850 18.3940 179.4173 72 L 3.6635 8.0469 118.9953 58.0693 42.1510 179.2477 73 G 3.2427 8.3088 106.1212 47.6789 0.0000 175.6524 74 G 3.6600 7.7777 106.9524 47.5822 0.0000 175.5800 75 I 3.8385 7.4600 122.0718 64.0915 37.0803 178.4650 76 L 3.9420 7.8950 120.1846 57.7769 41.2069 179.7278 77 K 3.9138 7.7162 116.6774 58.3970 32.3669 178.4955 78 K 4.0002 7.8985 117.8087 57.2908 32.5253 177.8790 79 K 2.0000 8.5965 119.2370 58.9308 31.9771 174.1033 80 G 4.1464 8.5227 109.9915 47.0387 0.0000 173.7774 81 H 4.5773 7.1467 117.6684 54.8924 27.3771 174.9115 82 H 5.2066 7.3051 111.0977 54.4376 29.7034 176.3652 83 E 3.9469 8.6791 122.3118 60.3680 28.9829 178.7138 84 A 3.9983 7.9848 118.3643 55.0462 18.7877 178.7371 85 E 4.1879 8.0998 116.3512 58.6363 29.8067 178.7406 86 L 4.0058 8.3354 121.0853 58.1742 42.1295 178.5934 87 T 3.9203 8.0962 116.2402 66.4880 68.4108 174.4415 88 P 4.1901 0.0000 0.0000 65.9506 31.0523 178.0899 89 L 4.0316 7.5506 117.3433 57.7570 42.0431 178.7515 90 A 4.1550 8.4793 121.2327 55.2100 18.3479 179.4859 91 Q 3.8553 8.7956 117.2250 59.3189 28.8752 179.4926 92 S 4.0603 8.3461 115.2869 61.7062 62.9533 176.0521 93 H 4.2646 8.7752 119.8444 58.1761 28.3172 177.5880 94 A 3.0140 7.9209 122.7682 53.9335 17.9868 178.4757 95 T 3.6002 7.7669 108.0566 62.5516 68.4104 176.7690 96 K 3.7389 8.3816 121.8929 59.0560 33.0305 177.1663 97 H 4.3736 7.7139 113.3690 55.6482 29.4001 175.0734 98 K 3.6093 7.0873 116.6192 57.2587 29.5925 175.9268 99 I 4.3116 7.7866 119.2115 58.9854 38.5193 174.9927 100 P 4.3886 0.0000 0.0000 62.0482 32.2010 177.3203 101 V 3.2322 8.3169 119.6879 66.3204 31.0744 178.3654 102 K 3.8087 7.7832 118.5252 59.4887 32.0273 178.1789 103 Y 4.0165 8.1105 117.1359 60.5448 37.7396 177.9843 104 L 4.1645 7.7970 120.0088 57.7347 41.5704 179.2941 105 E 4.0874 7.8615 118.5406 59.2560 29.3936 179.3298 106 F 4.5096 7.8160 117.5678 60.6639 39.0351 177.3840 107 I 3.9058 8.1931 118.1068 63.5952 37.7573 178.0888 108 S 4.1809 8.1665 116.5055 61.6155 62.6454 176.0050 109 E 3.9921 8.5345 121.7865 59.4768 29.2666 178.7936 110 A 4.2496 8.1703 121.9701 54.5214 18.3319 179.6210 111 I 3.6457 8.1870 118.7798 64.6781 37.1700 178.6220 112 I 3.7761 7.8325 120.4554 64.6573 36.5722 178.5017 113 Q 4.0103 8.3749 119.0034 58.9141 28.4401 179.2007 114 V 3.5178 8.0707 119.5063 65.9220 31.5143 178.0186 115 L 3.7460 7.8508 118.8291 57.6798 41.0707 179.4239 116 Q 4.1179 7.9162 118.4772 59.2247 29.1623 177.7119 117 S 4.1933 8.5695 113.9671 61.4644 62.5409 175.9232 118 K 4.0650 8.0656 119.5425 57.7525 33.1991 176.8091 119 H 5.0268 8.1916 115.8562 53.6901 29.4851 172.7260 120 P 4.3357 0.0000 0.0000 65.8710 31.9010 178.8815 121 G 3.7706 8.2273 105.1171 48.5800 0.0000 174.1487 122 D 4.5771 8.1034 117.4115 55.0425 41.9111 177.3064 123 F 5.0411 7.9777 122.6238 57.5599 36.7285 174.9428 124 G 3.8559 7.6407 108.2733 43.5133 0.0000 170.7160 125 A 3.8827 8.4318 120.7102 55.5403 18.2776 179.7537 126 D 4.2176 7.9614 116.4416 57.3423 40.8826 178.6970 127 A 3.9775 7.7822 120.7776 55.1039 18.3864 179.3667 128 Q 3.3507 7.8087 116.9976 58.9691 28.7646 179.5419 129 G 3.5274 7.9350 106.2593 47.6144 0.0000 175.5638 130 A 3.8509 7.9702 123.1530 55.0609 18.4470 179.3524 131 M 4.0039 8.2908 116.9440 58.8531 32.2932 178.3522 132 S 4.1746 8.4163 115.6547 61.8488 63.0174 176.8758 133 K 3.8430 8.1297 120.6261 59.5029 31.6768 179.2430 134 A 3.8610 8.1095 121.1002 55.1279 18.1851 179.7100 135 L 4.1184 8.1598 117.5301 57.6077 41.6979 179.2935 136 E 3.9393 8.4592 119.6095 59.0353 29.5372 178.4917 137 L 3.9469 8.2788 120.7860 58.2226 42.1217 178.2844 138 F 4.1493 8.6151 120.8349 61.7185 39.1481 177.0826 139 R 3.5258 8.3468 117.4021 59.3940 29.9353 178.7746 140 N 4.2384 8.4463 116.2803 56.6105 38.7034 177.2995 141 D 4.4383 8.3260 120.1137 57.0934 40.7819 178.9072 142 M 3.8841 7.8295 119.5032 58.2978 31.9623 178.3974 143 A 3.6254 7.9191 120.9097 55.1877 18.5765 179.5404 144 A 4.0405 8.0222 119.1118 54.8082 18.4574 179.8506 145 K 3.9964 8.0481 118.0972 59.7873 32.3070 178.6143 146 Y 4.2248 8.5189 117.3124 61.1608 37.8260 178.8300 147 K 4.5792 8.2329 120.6378 59.0880 31.9648 178.9796 148 E 3.9833 7.9340 117.9201 59.1312 29.6507 178.2259 149 L 4.2728 7.8990 116.8287 55.4054 41.8803 177.7228 150 G 3.6838 7.9041 107.4530 45.1252 0.0000 173.1016 151 F 4.9034 8.2505 118.2020 54.6856 41.6618 174.8405 152 Q 4.3468 8.8399 123.6966 56.3254 29.3539 176.2886 153 G 3.7476 8.6840 113.1035 45.7602 0.0000 173.2439 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 G 8.35 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 2 L 7.74 4.26 0.00 0.55 0.74 0.53 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.45 4.54 0.00 4.05 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 4 D 8.67 4.66 0.00 2.77 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 5 G 8.08 3.66 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 0.00 0.00 0.00 6 E 8.09 3.97 0.00 2.04 1.71 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 2.21 2.26 0.00 7 W 8.27 4.41 0.00 3.54 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 8 Q 8.42 4.13 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 9 L 8.03 4.03 0.00 1.90 1.74 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.11 3.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.90 0.00 0.00 11 L 8.60 4.21 0.00 1.82 1.81 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.36 4.45 0.00 2.76 2.93 0.00 0.00 7.05 7.59 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 13 V 8.00 3.82 2.24 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 1.17 0.00 0.00 1.04 0.00 0.00 14 W 8.81 3.99 0.00 3.66 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 15 G 8.14 3.84 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 0.00 0.00 0.00 16 K 7.77 3.92 0.00 1.48 1.48 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.29 7.81 17 V 6.82 2.89 0.78 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 0.18 0.00 0.00 -0.02 0.00 0.00 18 E 7.86 3.84 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 19 A 7.30 4.24 1.24 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 20 D 7.74 4.61 0.00 2.70 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 21 V 7.75 3.44 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 1.11 0.00 0.00 0.95 0.00 0.00 22 A 8.02 4.07 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 23 G 8.18 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.17 4.14 0.00 3.27 3.25 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 25 G 8.38 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 3.87 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 27 E 7.96 3.85 0.00 2.10 1.89 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 2.24 2.37 0.00 28 V 7.98 3.49 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 1.08 0.00 0.00 0.98 0.00 0.00 29 L 7.75 3.48 0.00 1.62 1.12 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.74 3.69 1.91 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 1.48 0.74 0.87 0.00 0.00 31 R 8.05 3.85 0.00 1.89 1.92 0.00 3.25 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 32 L 7.96 3.89 0.00 1.68 1.47 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.60 4.50 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 34 K 8.21 4.37 0.00 1.76 1.84 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.59 7.81 35 G 7.77 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.23 4.74 0.00 3.09 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.42 0.00 2.17 2.13 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 38 E 8.26 4.22 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 39 T 8.13 3.79 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 0.79 0.00 0.00 40 L 7.91 3.58 0.00 1.28 1.74 0.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.66 4.00 0.00 2.35 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 2.38 2.40 0.00 42 K 8.04 4.43 0.00 1.84 1.67 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.72 1.87 7.81 43 F 8.27 4.50 0.00 3.18 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 44 D 8.43 4.35 0.00 2.64 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 45 K 7.81 4.16 0.00 1.17 1.62 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.36 7.81 46 F 7.77 5.18 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.47 3.98 0.00 1.78 1.78 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 48 H 7.80 4.01 0.00 3.27 3.52 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.84 4.48 0.00 1.62 1.64 0.82 0.71 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 50 K 8.75 4.50 0.00 1.84 1.81 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.49 7.81 51 S 7.29 4.62 0.00 3.99 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 52 E 8.70 3.89 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 53 D 8.00 4.32 0.00 2.71 2.68 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 0.00 0.00 0.00 54 E 8.10 4.00 0.00 2.03 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 2.34 2.34 0.00 55 M 8.30 4.10 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 56 K 8.07 3.93 0.00 1.83 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.59 7.81 57 A 7.65 4.32 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 58 S 7.46 4.17 0.00 3.89 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 59 E 8.81 4.08 0.00 2.25 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 0.00 2.38 2.43 0.00 60 D 8.17 4.60 0.00 2.98 3.08 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 61 L 8.07 3.49 0.00 1.08 1.53 0.64 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.80 3.87 0.00 1.86 1.91 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 63 K 8.52 3.92 0.00 1.88 2.13 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.52 7.81 64 H 8.70 4.40 0.00 3.68 3.74 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.65 3.57 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 0.00 0.00 0.00 66 N 8.44 4.32 0.00 2.77 3.01 0.00 0.00 7.22 7.95 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 67 T 8.03 3.89 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 1.26 0.00 0.00 68 N 8.33 4.26 0.00 2.76 3.01 0.00 0.00 7.25 7.35 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 69 L 8.16 4.24 0.00 1.83 1.92 0.93 0.82 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 70 T 8.41 3.97 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 1.26 0.00 0.00 71 A 8.03 3.99 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 72 L 8.05 3.66 0.00 1.57 1.68 0.13 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.31 3.24 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 74 G 7.78 3.66 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 0.00 0.00 0.00 75 I 7.46 3.84 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.59 0.90 0.00 0.00 76 L 7.90 3.94 0.00 1.08 1.57 -0.05 1.05 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 77 K 7.72 3.91 0.00 1.65 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.49 7.81 78 K 7.90 4.00 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.78 7.81 79 K 8.60 2.00 0.00 1.00 0.74 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.65 1.03 7.81 80 G 8.52 4.15 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 0.00 81 H 7.15 4.58 0.00 3.07 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.31 5.21 0.00 3.26 3.42 0.00 5.67 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 83 E 8.68 3.95 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 84 A 7.98 4.00 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 85 E 8.10 4.19 0.00 2.21 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 2.36 2.42 0.00 86 L 8.34 4.01 0.00 1.77 1.95 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.10 3.92 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 88 P 0.00 4.19 0.00 2.29 2.34 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 89 L 7.55 4.03 0.00 1.93 1.91 1.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.48 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.80 3.86 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 92 S 8.35 4.06 0.00 3.97 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 0.00 93 H 8.78 4.26 0.00 3.49 3.56 0.00 5.81 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 94 A 7.92 3.01 -0.04 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 95 T 7.77 3.60 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 1.23 0.00 0.00 96 K 8.38 3.74 0.00 1.59 1.59 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.23 1.37 7.81 97 H 7.71 4.37 0.00 3.06 3.12 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.09 3.61 0.00 1.87 1.79 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.33 7.81 99 I 7.79 4.31 2.04 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 1.39 0.94 1.09 0.00 0.00 100 P 0.00 4.39 0.00 1.84 1.89 0.00 3.43 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.13 0.00 101 V 8.32 3.23 1.89 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 0.83 0.00 0.00 0.40 0.00 0.00 102 K 7.78 3.81 0.00 1.67 1.59 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.89 1.31 7.81 103 Y 8.11 4.02 0.00 3.18 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 0.00 104 L 7.80 4.16 0.00 1.76 1.76 0.58 1.42 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 0.00 105 E 7.86 4.09 0.00 2.07 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 2.32 2.28 0.00 106 F 7.82 4.51 0.00 3.09 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 0.00 107 I 8.19 3.91 2.00 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 1.57 1.61 1.08 0.00 0.00 108 S 8.17 4.18 0.00 4.20 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 0.00 109 E 8.53 3.99 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 110 A 8.17 4.25 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 0.00 111 I 8.19 3.65 2.10 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 1.58 0.71 1.03 0.00 0.00 112 I 7.83 3.78 2.11 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 1.73 0.90 1.16 0.00 0.00 113 Q 8.37 4.01 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 114 V 8.07 3.52 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 115 L 7.85 3.75 0.00 0.96 0.34 0.74 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.92 4.12 0.00 2.34 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 117 S 8.57 4.19 0.00 3.89 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 0.00 118 K 8.07 4.07 0.00 1.39 1.44 0.00 1.84 0.00 0.00 1.34 0.00 0.00 2.50 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.26 1.41 7.81 119 H 8.19 5.03 0.00 3.20 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.34 0.00 2.06 2.16 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 121 G 8.23 3.77 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 0.00 0.00 0.00 122 D 8.10 4.58 0.00 2.75 2.79 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 0.00 0.00 0.00 0.00 123 F 7.98 5.04 0.00 3.01 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.64 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.43 3.88 1.27 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 0.00 0.00 126 D 7.96 4.22 0.00 2.66 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 0.00 127 A 7.78 3.98 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 0.00 128 Q 7.81 3.35 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 129 G 7.94 3.53 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 0.00 0.00 0.00 130 A 7.97 3.85 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 0.00 131 M 8.29 4.00 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.88 0.00 132 S 8.42 4.17 0.00 3.99 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 0.00 133 K 8.13 3.84 0.00 1.77 1.69 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.53 7.81 134 A 8.11 3.86 1.24 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 0.00 135 L 8.16 4.12 0.00 1.79 1.83 1.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.46 3.94 0.00 2.14 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 0.00 2.45 2.32 0.00 137 L 8.28 3.95 0.00 1.83 1.93 1.10 1.09 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 0.00 138 F 8.62 4.15 0.00 3.10 3.35 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 0.00 139 R 8.35 3.53 0.00 2.02 1.88 0.00 3.17 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 140 N 8.45 4.24 0.00 2.93 2.85 0.00 0.00 7.11 7.75 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 0.00 141 D 8.33 4.44 0.00 2.68 2.74 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 0.00 142 M 7.83 3.88 0.00 1.61 1.69 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.89 0.00 143 A 7.92 3.63 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 0.00 144 A 8.02 4.04 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 0.00 145 K 8.05 4.00 0.00 2.07 1.96 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.68 7.81 146 Y 8.52 4.22 0.00 3.23 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.23 4.58 0.00 2.01 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 148 E 7.93 3.98 0.00 2.19 2.26 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 2.34 2.36 0.00 149 L 7.90 4.27 0.00 2.06 1.84 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.90 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.25 4.90 0.00 3.17 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.84 4.35 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 153 G 8.68 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