NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7518 8.4449 120.3878 56.0582 30.3632 171.8241 3 L 4.3709 7.5557 121.3213 51.7400 43.3286 176.3481 4 T 4.2458 9.7967 115.4528 60.5980 72.0762 173.8808 5 P 4.2109 0.0000 0.0000 65.7899 31.2951 178.8550 6 E 4.0369 8.1067 115.7679 59.2141 29.4732 178.9406 7 E 3.9304 7.9029 119.4437 58.9504 29.5047 179.1613 8 K 3.8577 8.2444 119.0582 59.6107 32.1206 179.6422 9 S 4.2100 8.0316 113.8568 61.0014 62.8346 176.2636 10 A 3.9556 8.1723 124.7587 55.0600 18.1681 179.5108 11 V 3.4630 7.9208 116.8803 66.6340 31.6625 178.2449 12 T 3.9319 8.2968 115.4350 66.5469 68.0564 176.3228 13 A 4.0197 8.0801 121.6833 55.3170 18.7834 179.1596 14 L 3.8689 8.0120 118.7376 58.0051 42.0590 178.9966 15 W 4.4103 8.6842 128.5975 60.1891 30.4637 177.9332 16 G 3.8449 8.1143 104.3020 46.6316 0.0000 173.9342 17 K 4.4508 7.7045 118.5567 56.1187 32.9243 176.3460 18 V 3.7216 7.5475 120.4756 61.6556 32.1864 175.6920 19 N 4.4799 8.1790 125.4435 52.3832 38.9770 175.3318 20 V 3.4498 8.1261 128.5053 66.2629 31.6548 177.3699 21 D 4.4468 8.0420 117.9692 57.1122 40.7565 178.5040 22 E 3.8701 8.4887 119.2172 59.4034 29.4518 179.5780 23 V 3.5449 7.9518 118.6849 65.6647 31.5428 178.1989 24 G 3.7340 8.5812 106.0203 47.9577 0.0000 175.9626 25 G 3.5997 8.0767 108.6312 47.0963 0.0000 175.4387 26 E 3.8713 8.3097 121.4676 59.1732 29.6037 178.8802 27 A 3.9458 8.3188 121.2314 54.8600 18.4467 179.4271 28 L 3.9776 8.0587 119.1644 57.9241 42.2370 179.1118 29 G 3.6572 8.0325 105.7630 48.2032 0.0000 175.8231 30 R 3.8925 8.1561 121.2204 58.3366 29.9062 178.6963 31 L 4.0639 8.1929 120.6461 58.5712 42.0886 179.3128 32 L 4.0382 7.8624 119.4921 56.4399 41.2317 179.6664 33 V 3.5314 7.2130 117.7644 65.8153 31.7717 177.9646 34 V 3.5527 8.0922 116.9964 64.3658 32.7161 175.5632 35 Y 3.7909 7.4171 116.8807 54.4475 37.7408 174.2548 36 P 5.0105 0.0000 0.0000 63.8452 31.9226 177.5105 37 W 4.4384 7.9637 115.5978 58.9840 27.9040 177.6409 38 T 4.2467 7.6324 110.4630 63.6780 68.1919 176.0669 39 Q 4.3571 8.2192 121.8400 58.3540 28.4956 177.9254 40 R 3.8411 7.4974 116.1343 58.7962 29.1284 177.2899 41 F 4.2280 7.3294 114.2331 57.6676 39.5183 175.7340 42 F 4.5023 7.9600 120.2803 56.7125 39.9257 176.7486 43 E 3.9747 8.6185 123.2398 59.7926 29.2129 178.5379 44 S 4.5561 8.0814 109.8055 59.0794 63.5328 174.4108 45 F 4.7296 8.4487 119.5839 57.9535 40.2612 176.3803 46 G 4.0359 7.9558 106.6837 44.4453 0.0000 175.4412 47 D 4.5572 8.6207 126.7662 53.9864 41.0384 175.4524 48 L 4.9368 8.3037 127.1319 54.5534 43.2112 178.0482 49 S 4.3530 8.4584 116.8079 60.6503 63.5565 174.6917 50 T 4.7233 7.3923 109.7654 58.0597 72.9859 172.5293 51 P 4.1852 0.0000 0.0000 66.3155 31.3014 178.5395 52 D 4.3199 8.1137 116.4677 57.3490 40.7107 178.6629 53 A 3.9674 8.0435 121.3382 54.9469 18.1325 179.8872 54 V 3.5185 7.7539 115.9824 66.5614 31.7469 177.9532 55 M 4.2765 8.0374 117.2754 58.2705 31.8573 178.7103 56 G 3.8418 8.2207 104.9379 45.7239 0.0000 173.3497 57 N 4.4056 7.6633 120.7802 52.7360 39.2804 173.7796 58 P 4.2795 0.0000 0.0000 65.8313 31.2537 178.6452 59 K 3.6866 8.0505 118.5038 58.9267 31.8101 179.3868 60 V 3.6466 7.8232 118.0250 66.0489 31.5252 177.9673 61 K 3.8791 8.0265 117.9144 59.3514 31.8654 179.1789 62 A 3.9160 8.1830 121.2186 55.5134 18.3763 179.0393 63 H 4.2993 8.7131 117.2832 59.4078 29.8985 177.4431 64 G 3.6544 8.7189 107.7673 47.7820 0.0000 175.2620 65 K 3.8901 8.4003 122.7448 59.1703 32.2681 178.7091 66 K 3.9933 7.9780 119.6991 59.5006 32.1762 179.0673 67 V 3.6450 7.8980 118.5958 66.0201 31.4756 177.8022 68 L 4.5102 8.3318 120.1519 57.5586 41.8175 178.9570 69 G 3.7891 8.4086 105.9721 47.9483 0.0000 175.5302 70 A 4.1261 8.0886 123.3394 54.5888 18.1705 179.3789 71 F 4.1436 8.6406 118.7794 61.5213 39.6907 176.9358 72 S 4.1964 9.0571 112.9984 61.8054 62.2242 175.8300 73 D 4.4777 8.6680 121.9289 57.4141 40.5765 179.0244 74 G 3.6323 8.0856 105.5219 46.8005 0.0000 175.0312 75 L 3.9619 7.5085 119.5733 55.9323 41.7657 177.8925 76 A 4.2355 7.3798 119.7167 52.7798 19.4235 176.7269 77 H 4.8867 7.9939 115.2770 54.6902 29.8408 175.3631 78 L 3.9114 8.0500 119.6936 57.2306 41.8308 178.2302 79 D 4.7813 7.8569 116.5635 53.9095 41.6904 176.9140 80 N 4.9931 8.0157 117.5394 51.7998 39.9838 175.2139 81 L 4.0903 7.7860 122.5323 57.5937 42.1346 179.4170 82 K 4.0782 8.0103 117.4112 59.3807 32.2887 178.8893 83 G 4.3937 8.0236 106.6332 47.8129 0.0000 175.5238 84 T 3.6339 7.8395 117.5238 65.2349 68.5786 175.7250 85 F 4.6849 8.0000 116.9638 56.9274 39.4528 177.2189 86 A 4.0660 7.6644 122.4008 56.1054 18.1954 180.2065 87 T 3.8955 7.8351 113.0491 66.6520 68.5159 176.9614 88 L 4.1700 7.9741 120.5594 57.3833 41.6138 179.2285 89 S 4.3977 8.2915 115.0141 61.0259 62.3466 175.7676 90 E 3.8821 8.2685 121.2333 59.4870 29.1686 179.3510 91 L 3.9429 7.9823 119.9088 58.6641 42.1743 178.8335 92 H 4.1400 8.6320 116.3936 58.7477 28.3204 177.3449 93 C 3.4962 7.9699 120.8992 62.3246 31.1586 175.4089 94 D 4.4385 8.6634 120.3945 56.4653 40.5152 177.4232 95 K 4.3163 7.9911 117.1415 57.2107 33.9208 177.3491 96 L 4.1776 7.7146 116.5327 54.8753 42.2711 176.0360 97 H 4.0596 7.1005 114.5737 56.5865 26.6746 175.3612 98 V 3.8574 7.9743 119.6144 61.2766 31.5120 174.8383 99 D 4.3212 8.9157 127.6944 54.0638 41.4016 175.2608 100 P 3.0343 0.0000 0.0000 64.7594 31.8331 177.9130 101 E 3.8104 8.3652 119.1636 59.5567 29.3446 178.2678 102 N 4.1207 7.8534 116.1432 56.7790 38.5022 177.2271 103 F 4.5354 7.2448 118.7298 60.5826 38.9399 178.0064 104 R 3.9672 8.1656 118.0145 59.1457 29.9228 179.0046 105 L 3.7780 7.6971 118.3248 57.6427 41.6216 179.2196 106 L 4.0689 8.0933 120.4719 57.8514 42.0321 178.9044 107 G 3.8070 8.2865 105.9541 48.2999 0.0000 175.3068 108 N 4.5355 8.3309 118.7582 55.5120 38.5124 177.7459 109 V 3.6092 8.0015 120.0364 65.9264 31.4940 177.8303 110 L 3.8720 8.3971 120.4943 57.9521 41.8435 179.0018 111 V 3.5535 7.7801 118.1776 66.3279 31.4153 177.6320 112 C 4.0066 8.2343 116.4666 62.9307 27.9582 176.4505 113 V 3.4943 8.0026 119.8861 65.9171 31.0419 177.9974 114 L 3.8685 7.9823 118.8373 57.6043 41.3130 179.4361 115 A 3.6018 7.3711 120.6100 55.1604 18.1114 179.0037 116 H 4.0354 8.0247 115.6553 59.8207 30.0122 176.5782 117 H 3.9176 8.4159 118.6672 58.6213 29.8610 176.3577 118 F 4.5858 8.4927 118.0801 56.8744 39.9950 177.2086 119 G 3.8275 8.5700 108.6853 46.3098 0.0000 176.0524 120 K 3.9523 8.9924 121.7242 59.5694 32.2764 177.2489 121 E 4.0665 7.9153 118.5255 59.0105 30.0302 177.2902 122 F 4.5857 8.2802 122.7541 57.3210 37.7480 175.0144 123 T 4.1971 7.3620 115.5536 60.2522 71.4107 173.5117 124 P 4.1550 0.0000 0.0000 65.6592 31.3579 177.2208 125 P 4.2327 0.0000 0.0000 65.2981 31.2336 178.9054 126 V 3.5209 7.4815 117.0531 65.7951 31.4481 177.7074 127 Q 3.4757 7.8728 119.4137 59.0955 28.9853 178.0909 128 A 3.9957 7.9891 121.3694 55.3080 18.3479 179.4300 129 A 3.9147 7.9330 118.9532 55.6644 18.4211 179.5655 130 Y 3.8883 8.3036 115.1588 61.0190 37.9237 178.5100 131 Q 4.1463 8.8837 119.6285 58.9034 28.8011 179.0155 132 K 3.9559 7.9920 119.0681 59.3591 32.0199 179.1733 133 V 3.4661 7.6271 118.4933 66.5413 31.3791 178.6294 134 V 3.7985 8.4553 111.9331 64.0286 31.3029 178.3557 135 A 4.0928 8.2875 120.9402 55.2023 18.1770 179.7440 136 G 3.5744 8.4388 104.3225 48.0221 0.0000 175.8721 137 V 3.2910 8.0129 121.1973 65.3295 31.4859 177.8571 138 A 3.9541 7.9440 120.3560 55.3134 18.0603 179.1948 139 N 4.2558 8.2868 113.6838 56.5724 38.7811 177.1041 140 A 4.1698 8.2026 122.1961 55.3005 18.2632 179.6731 141 L 3.9211 8.0645 117.1067 57.1886 41.6724 178.8430 142 A 4.1776 8.1595 119.8249 53.8293 18.3428 178.7890 143 H 4.3126 7.9147 116.6022 58.3046 29.9672 175.8218 144 K 4.5067 8.1766 118.0227 56.0690 32.2642 176.2265 145 Y 4.1558 7.9193 117.3912 58.6405 38.3713 176.0005 146 H 4.4517 8.3238 117.3654 56.1728 28.2994 173.2908 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 H 8.44 4.75 0.00 3.10 3.26 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.56 4.37 0.00 1.71 1.52 0.88 0.63 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 4 T 9.80 4.25 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 5 P 0.00 4.21 0.00 2.16 2.13 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 6 E 8.11 4.04 0.00 2.14 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 0.00 2.34 2.32 0.00 7 E 7.90 3.93 0.00 2.25 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 2.29 2.31 0.00 8 K 8.24 3.86 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.56 7.81 9 S 8.03 4.21 0.00 4.08 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 10 A 8.17 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 11 V 7.92 3.46 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 0.59 0.00 0.00 0.42 0.00 0.00 12 T 8.30 3.93 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 1.26 0.00 0.00 13 A 8.08 4.02 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 14 L 8.01 3.87 0.00 1.81 1.91 -0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.68 4.41 0.00 3.82 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 16 G 8.11 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 17 K 7.70 4.45 0.00 2.14 2.10 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.40 7.81 18 V 7.55 3.72 1.15 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 -0.14 0.00 0.00 0.79 0.00 0.00 19 N 8.18 4.48 0.00 2.68 2.61 0.00 0.00 6.83 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 20 V 8.13 3.45 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.99 0.00 0.00 21 D 8.04 4.45 0.00 2.70 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 22 E 8.49 3.87 0.00 2.03 1.87 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 2.26 2.25 0.00 23 V 7.95 3.54 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 0.94 0.00 0.00 0.63 0.00 0.00 24 G 8.58 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 0.00 0.00 0.00 25 G 8.08 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 3.87 0.00 2.08 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 2.23 2.31 0.00 27 A 8.32 3.95 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 28 L 8.06 3.98 0.00 1.76 1.62 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.03 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 30 R 8.16 3.89 0.00 1.91 1.94 0.00 3.09 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 31 L 8.19 4.06 0.00 1.88 1.91 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.86 4.04 0.00 1.71 1.69 0.79 0.73 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 33 V 7.21 3.53 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 0.72 0.00 0.00 0.95 0.00 0.00 34 V 8.09 3.55 1.56 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 -0.06 0.00 0.00 0.77 0.00 0.00 35 Y 7.42 3.79 0.00 2.47 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 36 P 0.00 5.01 0.00 2.27 2.12 0.00 3.95 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 2.19 2.13 0.00 37 W 7.96 4.44 0.00 3.55 3.46 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 38 T 7.63 4.25 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 0.99 0.00 0.00 39 Q 8.22 4.36 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 40 R 7.50 3.84 0.00 1.63 2.02 0.00 2.99 0.00 0.00 2.63 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 41 F 7.33 4.23 0.00 1.51 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 0.00 0.00 0.00 0.00 42 F 7.96 4.50 0.00 2.87 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 0.00 0.00 0.00 0.00 43 E 8.62 3.97 0.00 1.95 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 2.27 2.24 0.00 44 S 8.08 4.56 0.00 4.14 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 0.00 45 F 8.45 4.73 0.00 3.27 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.96 4.04 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 0.00 47 D 8.62 4.56 0.00 2.67 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 48 L 8.30 4.94 0.00 1.65 1.62 1.01 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 49 S 8.46 4.35 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.39 4.72 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 51 P 0.00 4.19 0.00 2.15 2.14 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 52 D 8.11 4.32 0.00 2.67 2.70 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 53 A 8.04 3.97 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 54 V 7.75 3.52 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 0.90 0.00 0.00 0.97 0.00 0.00 55 M 8.04 4.28 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.83 0.00 56 G 8.22 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 57 N 7.66 4.41 0.00 2.97 2.84 0.00 0.00 6.77 8.90 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 58 P 0.00 4.28 0.00 2.24 2.25 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 K 8.05 3.69 0.00 1.72 0.74 0.00 1.36 0.00 0.00 1.02 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.25 7.81 60 V 7.82 3.65 2.23 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 1.06 0.00 0.00 1.03 0.00 0.00 61 K 8.03 3.88 0.00 2.00 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.56 7.81 62 A 8.18 3.92 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 63 H 8.71 4.30 0.00 3.57 3.50 0.00 5.80 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 64 G 8.72 3.65 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 0.00 0.00 0.00 65 K 8.40 3.89 0.00 1.95 2.02 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.56 7.81 66 K 7.98 3.99 0.00 2.10 1.85 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 67 V 7.90 3.65 2.06 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 0.91 0.00 0.00 0.89 0.00 0.00 68 L 8.33 4.51 0.00 1.94 1.76 0.77 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.41 3.79 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 0.00 0.00 0.00 70 A 8.09 4.13 1.56 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 71 F 8.64 4.14 0.00 3.03 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 72 S 9.06 4.20 0.00 4.60 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 0.00 73 D 8.67 4.48 0.00 2.72 2.71 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 74 G 8.09 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 75 L 7.51 3.96 0.00 1.50 1.46 0.15 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.38 4.24 1.07 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 0.00 0.00 77 H 7.99 4.89 0.00 3.08 3.13 0.00 5.83 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 78 L 8.05 3.91 0.00 1.54 1.65 0.77 0.88 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 79 D 7.86 4.78 0.00 2.61 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 80 N 8.02 4.99 0.00 2.63 2.58 0.00 0.00 7.23 6.76 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 81 L 7.79 4.09 0.00 1.76 1.83 0.84 0.88 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 82 K 8.01 4.08 0.00 1.68 1.82 0.00 1.52 0.00 0.00 1.09 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.44 7.81 83 G 8.02 4.39 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 0.00 84 T 7.84 3.63 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 0.63 0.00 0.00 85 F 8.00 4.68 0.00 3.30 2.96 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 86 A 7.66 4.07 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 87 T 7.84 3.90 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 1.22 0.00 0.00 88 L 7.97 4.17 0.00 2.01 1.85 1.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.29 4.40 0.00 4.07 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.27 3.88 0.00 2.23 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 2.34 2.54 0.00 91 L 7.98 3.94 0.00 1.78 1.82 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.63 4.14 0.00 3.56 3.77 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.97 3.50 0.00 1.23 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.66 4.44 0.00 2.68 2.70 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 95 K 7.99 4.32 0.00 1.65 1.78 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.49 7.81 96 L 7.71 4.18 0.00 1.69 1.61 0.66 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.10 4.06 0.00 3.41 3.45 0.00 5.64 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.97 3.86 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 0.23 0.00 0.00 0.38 0.00 0.00 99 D 8.92 4.32 0.00 2.81 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 0.00 100 P 0.00 3.03 0.00 1.89 1.86 0.00 3.35 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.00 101 E 8.37 3.81 0.00 2.10 1.92 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 2.33 2.41 0.00 102 N 7.85 4.12 0.00 2.45 2.78 0.00 0.00 7.06 8.28 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 0.00 103 F 7.24 4.54 0.00 3.11 2.92 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 0.00 104 R 8.17 3.97 0.00 1.90 1.97 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 105 L 7.70 3.78 0.00 1.46 1.15 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.09 4.07 0.00 1.81 1.77 0.91 0.94 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 0.00 107 G 8.29 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 0.00 0.00 0.00 108 N 8.33 4.54 0.00 2.81 2.94 0.00 0.00 6.70 7.01 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 0.00 109 V 8.00 3.61 2.23 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 1.12 0.00 0.00 1.17 0.00 0.00 110 L 8.40 3.87 0.00 1.70 1.78 0.93 0.39 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 0.00 111 V 7.78 3.55 2.32 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 1.43 0.00 0.00 1.20 0.00 0.00 112 C 8.23 4.01 0.00 3.12 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 0.00 113 V 8.00 3.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.88 0.00 0.00 114 L 7.98 3.87 0.00 1.05 1.24 0.61 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.37 3.60 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 0.00 116 H 8.02 4.04 0.00 3.15 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.42 3.92 0.00 2.83 2.89 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.49 4.59 0.00 3.39 3.13 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 0.00 119 G 8.57 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.99 3.95 0.00 1.77 1.93 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 121 E 7.92 4.07 0.00 2.02 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 0.00 2.31 2.28 0.00 122 F 8.28 4.59 0.00 3.03 3.17 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 0.00 123 T 7.36 4.20 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.15 0.00 3.58 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 2.12 2.20 0.00 125 P 0.00 4.23 0.00 2.11 2.06 0.00 3.48 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 2.08 2.11 0.00 126 V 7.48 3.52 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 0.99 0.00 0.00 0.90 0.00 0.00 127 Q 7.87 3.48 0.00 1.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 128 A 7.99 4.00 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 0.00 129 A 7.93 3.91 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 0.00 130 Y 8.30 3.89 0.00 3.36 3.31 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 0.00 131 Q 8.88 4.15 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 132 K 7.99 3.96 0.00 1.97 1.83 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.58 7.81 133 V 7.63 3.47 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 0.97 0.00 0.00 0.69 0.00 0.00 134 V 8.46 3.80 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 1.06 0.00 0.00 1.18 0.00 0.00 135 A 8.29 4.09 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 0.00 136 G 8.44 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 0.00 137 V 8.01 3.29 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 0.56 0.00 0.00 0.64 0.00 0.00 138 A 7.94 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.29 4.26 0.00 2.88 2.92 0.00 0.00 7.08 6.92 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 0.00 140 A 8.20 4.17 1.48 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 0.00 141 L 8.06 3.92 0.00 1.07 0.78 0.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.16 4.18 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 0.00 143 H 7.91 4.31 0.00 3.34 3.43 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.18 4.51 0.00 1.85 1.85 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.60 7.81 145 Y 7.92 4.16 0.00 3.12 2.96 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 0.00 146 H 8.32 4.45 0.00 3.21 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00