NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.3357 8.3149 120.1326 56.0336 34.3238 175.4541 9 V 4.3116 7.3112 109.3132 58.4561 35.5840 173.2542 10 K 3.9422 8.7168 121.6554 56.5902 32.9050 176.6663 11 K 4.2001 8.4458 125.8835 55.3645 33.2025 176.5550 12 I 3.9405 8.2603 126.6140 62.2629 37.9960 176.6389 13 T 4.1742 8.7215 121.5651 65.1657 69.3296 174.8481 14 N 5.4450 8.7449 116.8382 50.1489 42.8165 174.5393 15 G 4.0478 7.3119 109.6751 46.4880 0.0000 170.7207 16 T 5.0750 8.3813 117.2418 61.7998 73.3577 173.6246 17 V 4.5958 8.7756 125.2166 61.3567 34.0655 174.8532 18 I 4.5344 9.2624 131.6827 60.5095 37.5904 174.9524 19 D 4.9248 9.0009 127.6518 52.5447 44.1667 175.2772 20 H 4.3176 8.4217 114.9287 56.7974 26.3378 175.4988 21 I 4.0451 7.4376 119.0587 60.6184 37.9886 175.8392 22 D 4.5424 8.9988 124.5108 54.1761 41.2575 176.1984 23 A 4.3041 8.5492 125.7268 54.3395 18.5493 177.9931 24 G 3.9604 9.5281 110.2676 46.0219 0.0000 174.4081 25 K 4.4557 7.9651 117.7778 55.8210 32.9268 177.6881 26 A 4.0152 8.5053 122.9327 55.3715 18.2793 179.7497 27 L 4.0536 7.9156 116.8387 58.0244 41.7194 179.3539 28 M 3.9847 7.9495 117.6859 58.5615 32.3584 178.1942 29 V 3.4655 7.8399 118.3656 66.0105 31.7777 177.6165 30 F 4.2696 8.8288 120.6388 61.2226 38.9604 176.9197 31 K 3.6789 7.9803 118.1015 59.5467 32.0950 178.6513 32 V 3.4377 7.3688 117.1264 65.8179 31.3430 177.7045 33 L 3.9255 7.6955 118.1321 55.2507 42.7846 176.6505 34 N 3.7915 7.2799 114.7418 54.5199 37.3565 173.6537 35 V 3.9156 6.7278 111.6787 59.7520 33.4436 174.9744 36 P 4.3334 0.0000 0.0000 62.5533 31.7195 177.7468 37 K 3.8764 8.8006 121.3758 59.9278 32.2364 177.3043 38 E 4.3964 8.0128 114.2502 56.1684 29.9961 176.3507 39 T 3.9681 7.7160 117.5110 63.9536 69.1772 173.6252 40 S 4.5474 8.5592 120.8884 57.8328 63.6606 172.8819 41 V 4.9306 8.2247 125.5181 61.4648 35.1187 173.6380 42 M 4.6737 8.8587 124.6695 53.7387 35.2376 173.9354 43 I 4.7785 8.4051 126.2414 59.5065 39.8207 174.5518 44 A 4.6708 8.7510 129.7758 50.2795 20.9799 175.4288 45 I 4.7391 8.0662 123.0132 59.7355 40.1024 175.5656 46 N 4.1337 9.0463 124.9978 54.5743 36.5896 174.4184 47 V 4.3882 7.7038 110.3492 58.9480 34.6311 174.9891 48 P 4.6938 0.0000 0.0000 63.7878 32.2058 176.1334 49 S 4.4763 8.7382 117.4033 57.1766 65.3101 175.2114 50 K 4.2030 8.9411 127.3054 59.3311 32.3464 178.6460 51 K 4.1445 8.1249 117.3467 58.5320 32.1881 177.7993 52 K 4.3416 8.4521 115.1560 55.8208 33.5404 176.8498 53 G 4.3840 9.6576 115.5185 44.5483 0.0000 173.2258 54 K 5.2065 7.1949 117.8623 54.3481 36.6891 174.8037 55 K 4.5762 8.7818 120.6900 56.7957 36.6748 173.5213 56 D 5.4929 9.0040 119.2338 52.7228 44.7228 175.6575 57 I 5.0353 8.7933 120.4812 59.6910 42.0954 174.4893 58 L 4.9782 8.9442 124.8826 53.0390 45.1589 175.6467 59 K 4.7921 9.0304 124.7209 54.7348 34.6482 175.4894 60 I 4.6706 8.9596 127.2998 59.3314 39.3907 174.7990 61 E 4.4261 8.8077 129.4074 56.5198 30.2136 176.9843 62 G 3.9898 9.6392 114.8539 45.7152 0.0000 173.2826 63 I 4.5181 7.4939 119.2435 59.0307 40.4616 174.7160 64 E 4.5121 8.5797 122.5828 53.9417 30.0472 175.6095 65 L 3.9968 7.6749 121.4803 55.0814 42.4430 178.5587 66 K 4.2948 8.4016 121.9400 55.9951 35.0106 177.7729 67 K 3.7665 8.6554 121.6423 60.0921 31.9012 178.3081 68 E 3.9394 8.1995 118.5913 59.5612 29.3164 178.4663 69 D 4.3366 7.9516 117.2110 57.1204 41.1554 178.2346 70 V 3.7471 7.9456 118.9168 66.4785 31.6301 177.9970 71 D 4.5096 8.4968 118.5096 57.1012 40.5764 178.8732 72 K 4.1198 7.8783 118.9921 59.5644 31.9610 179.1317 73 I 3.7309 7.6544 120.3900 64.3983 37.1286 178.4284 74 S 4.2917 8.0425 114.6438 60.9655 62.4579 175.8017 75 L 4.3895 7.9034 120.6713 55.5068 41.6831 176.8761 76 I 4.2583 7.9249 118.6407 62.2233 38.7886 176.1273 77 S 4.4443 7.6591 118.1164 55.6344 63.4160 172.1562 78 P 4.4197 0.0000 0.0000 64.3786 31.1993 176.4532 79 D 4.9391 7.4574 118.6698 54.2196 41.9223 176.2675 80 V 4.2387 7.8724 111.4525 61.5388 33.0378 175.6964 81 T 4.7129 8.8377 119.2138 61.9882 71.4866 173.4017 82 I 4.4589 8.9955 128.2921 60.2342 38.8404 174.5275 83 N 5.3244 9.0062 126.1933 51.6022 40.5314 174.4332 84 I 4.3178 8.7949 126.5556 60.8015 38.6590 175.0138 85 I 4.9246 8.6681 128.6501 59.7281 39.9140 175.3722 86 R 4.7215 8.7255 125.1988 55.5085 34.6578 175.1733 87 N 4.1405 9.5754 121.5064 54.4585 35.7948 175.2023 88 G 4.4312 8.5612 104.3589 45.7634 0.0000 174.3204 89 K 4.5026 7.5290 118.7026 53.9297 34.6712 175.8922 90 V 4.1362 8.3271 122.6323 63.2026 31.0221 175.8762 91 V 4.2621 8.2211 120.9391 61.4607 32.5758 175.9743 92 E 4.7454 7.5331 118.9222 55.1568 32.9272 173.9957 93 K 5.1076 8.8221 125.1963 54.6878 34.8009 175.3829 94 L 4.9125 9.1400 124.6605 52.6604 45.6875 175.1709 95 K 4.8693 8.3263 121.4610 53.8366 34.4042 174.2384 96 P 4.4057 0.0000 0.0000 62.7854 32.0075 175.4866 97 Q 4.5588 8.8048 121.1668 54.1702 30.2836 175.6909 98 I 4.4143 8.4858 123.4412 59.2978 37.5791 174.3565 99 P 4.5173 0.0000 0.0000 62.7823 32.2442 176.1312 100 D 4.6211 8.6734 119.2661 56.9160 41.8601 176.1420 101 E 5.2379 8.0345 114.4814 54.6671 34.0817 175.3791 102 I 4.7246 8.6505 120.9455 59.8960 41.5889 174.1271 103 E 4.6623 9.1309 126.1555 54.9702 30.8216 176.8593 104 G 3.7037 10.0022 114.2696 46.2648 0.0000 173.7815 105 T 3.7138 8.7217 121.6955 63.9606 66.6721 171.5372 106 L 4.8396 7.3755 118.1093 52.9248 44.3479 175.0034 107 K 4.6382 8.1294 122.0898 54.7927 33.5949 175.5231 108 C 4.6720 8.9701 128.5638 59.5861 32.0546 173.0984 109 T 4.1934 8.7392 115.1889 61.9090 68.8726 173.8044 110 N 4.7149 7.8714 122.0984 51.6419 38.8003 173.2218 111 P 4.2224 0.0000 0.0000 65.5047 31.5009 177.2001 112 N 4.7401 8.2255 112.7272 52.9190 38.9810 174.8851 113 C 4.2727 7.9761 120.3637 58.9562 32.3304 174.3290 114 I 3.8269 8.4013 125.7413 64.1723 37.6342 177.6481 115 T 4.1531 7.7053 107.8284 62.6315 68.8979 174.4459 116 N 4.8909 8.3667 118.4501 53.0238 39.7709 175.1439 117 K 4.3921 7.9013 116.5719 56.4751 34.2614 175.0480 118 E 4.7566 8.1477 117.0984 54.4542 33.0583 175.5510 119 K 4.2262 8.2584 119.3825 56.0840 31.1445 177.3591 120 V 4.2002 7.0197 119.9930 60.6434 33.4212 174.7072 121 R 4.1118 8.6081 126.8619 56.1282 30.7368 176.9700 122 G 3.8923 8.5701 108.8557 46.7696 0.0000 172.1844 123 K 4.9488 7.3333 121.7796 54.9017 35.8454 174.7669 124 F 5.4120 9.3463 124.9743 55.7296 44.1520 173.5150 125 K 5.0579 9.0975 120.7941 54.9529 35.5351 175.0424 126 I 4.6075 9.0357 129.2923 61.2315 37.2343 175.6536 127 E 4.6396 9.2840 126.6499 56.6744 30.8335 176.2258 128 S 4.5409 7.7761 113.6370 57.4011 65.3779 174.9290 129 K 4.0346 8.8278 125.5998 57.8725 32.8009 176.2257 130 N 4.7170 7.6931 116.7628 50.9685 39.9630 171.8119 131 P 4.4075 0.0000 0.0000 61.9527 32.2592 175.9309 132 L 4.4339 8.2681 122.2663 55.1676 42.7424 176.1081 133 K 4.5449 9.2442 125.8747 54.6839 35.6655 175.1407 134 I 4.9885 8.5865 125.7956 59.4998 40.1725 174.3643 135 R 4.9571 9.0580 128.0809 54.4454 32.4693 174.7682 136 C 4.4611 8.8593 127.1325 59.5451 32.1729 173.7064 137 Y 3.8871 8.6903 128.1386 61.1062 38.4846 177.0078 138 Y 4.1756 7.8576 115.9928 60.7683 38.2536 176.3266 139 C 4.2613 8.0375 112.5175 57.9192 30.5319 173.8912 140 E 4.4721 7.8351 117.5045 56.3245 26.8297 173.9523 141 K 4.3948 7.0956 117.7856 54.7510 33.7059 176.4685 142 F 4.8467 8.3095 120.9764 57.0840 39.6974 175.6673 143 L 4.2731 8.9100 125.3849 55.0305 41.9035 176.9607 144 N 4.8225 8.2905 118.6228 52.2651 37.8576 174.2469 145 E 4.5572 7.4492 116.3966 55.8331 32.2019 174.8547 146 V 3.9106 8.3416 124.2171 61.5511 32.0452 175.2149 147 I 4.5701 7.7434 127.9046 59.4549 40.4558 174.5809 148 F 4.6641 8.9780 126.5409 56.6128 39.8665 175.5171 149 E 4.2473 9.0448 124.6182 56.4562 29.0905 176.1277 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 8 K 8.31 4.34 0.00 1.75 1.93 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 9 V 7.31 4.31 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 0.69 0.00 0.00 0.92 0.00 0.00 10 K 8.72 3.94 0.00 1.71 1.77 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.49 7.81 11 K 8.45 4.20 0.00 1.71 1.69 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 I 8.26 3.94 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.95 0.00 0.00 13 T 8.72 4.17 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 1.21 0.00 0.00 14 N 8.74 5.44 0.00 2.76 2.65 0.00 0.00 6.89 7.83 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 15 G 7.31 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 0.00 0.00 0.00 16 T 8.38 5.07 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 17 V 8.78 4.60 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 1.04 0.00 0.00 0.92 0.00 0.00 18 I 9.26 4.53 1.87 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 1.12 0.50 0.92 0.00 0.00 19 D 9.00 4.92 0.00 2.69 2.39 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 20 H 8.42 4.32 0.00 3.36 3.35 0.00 5.75 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.44 4.05 2.00 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 1.30 0.67 0.92 0.00 0.00 22 D 9.00 4.54 0.00 2.68 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 23 A 8.55 4.30 1.25 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 0.00 0.00 24 G 9.53 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.97 4.46 0.00 1.96 1.83 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 26 A 8.51 4.02 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 27 L 7.92 4.05 0.00 1.73 1.78 0.93 0.86 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 28 M 7.95 3.98 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 29 V 7.84 3.47 2.25 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 0.94 0.00 0.00 0.92 0.00 0.00 30 F 8.83 4.27 0.00 3.10 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 31 K 7.98 3.68 0.00 1.85 1.89 0.00 1.85 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.38 7.81 32 V 7.37 3.44 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 0.18 0.00 0.00 0.12 0.00 0.00 33 L 7.70 3.93 0.00 1.68 1.64 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 34 N 7.28 3.79 0.00 2.78 2.67 0.00 0.00 7.27 7.93 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 35 V 6.73 3.92 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 0.75 0.00 0.00 0.95 0.00 0.00 36 P 0.00 4.33 0.00 2.20 2.01 0.00 3.62 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 2.11 2.07 0.00 37 K 8.80 3.88 0.00 1.87 1.97 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.46 7.81 38 E 8.01 4.40 0.00 2.10 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 0.00 2.25 2.27 0.00 39 T 7.72 3.97 4.34 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 1.30 0.00 0.00 40 S 8.56 4.55 0.00 3.91 3.73 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 41 V 8.22 4.93 1.88 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 0.42 0.00 0.00 1.03 0.00 0.00 42 M 8.86 4.67 0.00 2.08 1.79 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 43 I 8.41 4.78 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 0.90 0.47 0.80 0.00 0.00 44 A 8.75 4.67 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 45 I 8.07 4.74 1.85 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 1.32 0.68 1.00 0.00 0.00 46 N 9.05 4.13 0.00 2.84 2.88 0.00 0.00 7.00 8.51 0.00 0.00 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 7.70 4.39 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 0.69 0.00 0.00 0.95 0.00 0.00 48 P 0.00 4.69 0.00 1.93 2.00 0.00 3.66 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 2.03 2.10 0.00 49 S 8.74 4.48 0.00 3.89 3.72 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 50 K 8.94 4.20 0.00 1.79 1.86 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.41 7.81 51 K 8.12 4.14 0.00 1.73 1.82 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 52 K 8.45 4.34 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.35 7.81 53 G 9.66 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 0.00 0.00 0.00 0.00 54 K 7.19 5.21 0.00 1.59 1.65 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.42 7.81 55 K 8.78 4.58 0.00 1.95 1.91 0.00 1.31 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.39 7.81 56 D 9.00 5.49 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.79 5.04 1.83 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 1.32 0.69 0.90 0.00 0.00 58 L 8.94 4.98 0.00 1.53 1.53 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 K 9.03 4.79 0.00 1.62 1.68 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.33 7.81 60 I 8.96 4.67 1.90 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 1.19 0.70 0.98 0.00 0.00 61 E 8.81 4.43 0.00 1.98 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 2.31 0.00 62 G 9.64 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.49 4.52 1.89 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 1.48 0.73 0.92 0.00 0.00 64 E 8.58 4.51 0.00 2.04 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 2.16 2.28 0.00 65 L 7.67 4.00 0.00 1.70 1.67 0.93 0.89 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 66 K 8.40 4.29 0.00 1.98 1.93 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.49 7.81 67 K 8.66 3.77 0.00 1.84 1.89 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.66 1.54 7.81 68 E 8.20 3.94 0.00 2.09 1.95 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 2.41 2.44 0.00 69 D 7.95 4.34 0.00 2.81 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 70 V 7.95 3.75 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 1.04 0.00 0.00 0.99 0.00 0.00 71 D 8.50 4.51 0.00 2.73 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 72 K 7.88 4.12 0.00 1.97 1.93 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.86 7.81 73 I 7.65 3.73 2.07 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 1.55 0.80 0.92 0.00 0.00 74 S 8.04 4.29 0.00 4.10 4.16 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 75 L 7.90 4.39 0.00 1.99 1.79 0.87 0.67 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 76 I 7.92 4.26 2.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.94 0.00 0.00 77 S 7.66 4.44 0.00 3.80 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 78 P 0.00 4.42 0.00 2.22 2.17 0.00 3.92 0.00 0.00 3.67 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 79 D 7.46 4.94 0.00 2.74 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 80 V 7.87 4.24 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 0.76 0.00 0.00 0.95 0.00 0.00 81 T 8.84 4.71 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 1.24 0.00 0.00 82 I 9.00 4.46 1.88 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 1.34 0.86 0.92 0.00 0.00 83 N 9.01 5.32 0.00 2.74 2.73 0.00 0.00 6.59 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 84 I 8.79 4.32 1.87 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 1.23 1.12 0.91 0.00 0.00 85 I 8.67 4.92 2.03 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 1.37 1.00 1.03 0.00 0.00 86 R 8.73 4.72 0.00 1.73 1.77 0.00 3.25 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 87 N 9.58 4.14 0.00 2.88 2.93 0.00 0.00 7.16 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 88 G 8.56 4.43 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 0.00 89 K 7.53 4.50 0.00 1.92 1.68 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.47 7.81 90 V 8.33 4.14 2.08 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 0.85 0.00 0.00 0.93 0.00 0.00 91 V 8.22 4.26 2.08 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 0.73 0.00 0.00 1.02 0.00 0.00 92 E 7.53 4.75 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 93 K 8.82 5.11 0.00 1.64 1.69 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.43 7.81 94 L 9.14 4.91 0.00 1.51 1.53 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.33 4.87 0.00 1.73 1.66 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.43 7.81 96 P 0.00 4.41 0.00 2.10 2.20 0.00 3.72 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 2.04 2.12 0.00 97 Q 8.80 4.56 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 98 I 8.49 4.41 1.88 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 1.12 1.60 0.93 0.00 0.00 99 P 0.00 4.52 0.00 2.40 2.07 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 100 D 8.67 4.62 0.00 2.64 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 0.00 101 E 8.03 5.24 0.00 1.77 1.83 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 2.19 2.30 0.00 102 I 8.65 4.72 2.03 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 1.00 0.00 0.00 103 E 9.13 4.66 0.00 1.87 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 2.23 2.23 0.00 104 G 10.00 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 0.00 0.00 0.00 105 T 8.72 3.71 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 1.25 0.00 0.00 106 L 7.38 4.84 0.00 0.31 0.92 0.36 -0.28 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 0.00 107 K 8.13 4.64 0.00 1.77 1.67 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 108 C 8.97 4.67 0.00 3.25 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 0.00 109 T 8.74 4.19 4.35 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 1.31 0.00 0.00 110 N 7.87 4.71 0.00 2.85 2.79 0.00 0.00 7.11 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 0.00 111 P 0.00 4.22 0.00 2.09 2.13 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 112 N 8.23 4.74 0.00 2.72 2.83 0.00 0.00 6.97 7.10 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 0.00 113 C 7.98 4.27 0.00 3.02 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 0.00 114 I 8.40 3.83 1.77 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 1.31 1.34 0.63 0.00 0.00 115 T 7.71 4.15 4.31 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 1.20 0.00 0.00 116 N 8.37 4.89 0.00 2.78 2.88 0.00 0.00 6.81 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 0.00 117 K 7.90 4.39 0.00 1.68 1.80 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.35 7.81 118 E 8.15 4.76 0.00 1.93 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 2.17 2.28 0.00 119 K 8.26 4.23 0.00 1.66 1.71 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.46 7.81 120 V 7.02 4.20 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 0.43 0.00 0.00 0.73 0.00 0.00 121 R 8.61 4.11 0.00 1.88 1.90 0.00 3.29 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 122 G 8.57 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.33 4.95 0.00 1.61 1.13 0.00 1.31 0.00 0.00 0.65 0.00 0.00 2.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.84 1.33 7.81 124 F 9.35 5.41 0.00 2.99 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 0.00 125 K 9.10 5.06 0.00 1.82 1.64 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 126 I 9.04 4.61 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 0.98 0.00 0.00 127 E 9.28 4.64 0.00 2.08 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 2.36 2.54 0.00 128 S 7.78 4.54 0.00 3.84 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 0.00 129 K 8.83 4.03 0.00 1.78 1.84 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 130 N 7.69 4.72 0.00 2.59 2.67 0.00 0.00 6.99 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 0.00 131 P 0.00 4.41 0.00 2.16 2.00 0.00 3.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 132 L 8.27 4.43 0.00 1.66 1.61 0.98 0.52 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 0.00 133 K 9.24 4.54 0.00 1.60 1.27 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.40 7.81 134 I 8.59 4.99 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.95 0.00 0.00 135 R 9.06 4.96 0.00 1.57 1.71 0.00 2.93 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.00 136 C 8.86 4.46 0.00 3.18 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 0.00 137 Y 8.69 3.89 0.00 2.60 2.46 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 0.00 138 Y 7.86 4.18 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 C 8.04 4.26 0.00 3.09 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 0.00 140 E 7.84 4.47 0.00 2.00 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 2.11 2.09 0.00 141 K 7.10 4.39 0.00 1.84 1.72 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.54 7.81 142 F 8.31 4.85 0.00 3.11 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 0.00 143 L 8.91 4.27 0.00 1.63 1.77 0.64 1.02 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 0.00 144 N 8.29 4.82 0.00 2.83 2.94 0.00 0.00 6.72 7.62 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 0.00 145 E 7.45 4.56 0.00 1.89 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 0.00 2.10 2.20 0.00 146 V 8.34 3.91 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 0.64 0.00 0.00 0.86 0.00 0.00 147 I 7.74 4.57 1.81 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 0.53 0.93 0.00 0.00 148 F 8.98 4.66 0.00 2.92 3.01 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 0.00 149 E 9.04 4.25 0.00 2.00 1.88 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 2.35 2.30 0.00