NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9562 8.3549 109.7368 45.4799 0.0000 172.5589 2 L 4.3123 8.0321 118.4465 51.2391 43.0520 175.9138 3 S 4.4597 9.5494 118.9949 57.9366 66.0691 174.9034 4 D 4.6558 8.8254 122.2132 57.7788 40.5341 179.4741 5 G 3.6688 8.1000 105.4570 47.8851 0.0000 175.4305 6 E 3.9294 8.3053 121.0526 58.9236 29.4114 179.4384 7 W 4.3470 8.2755 119.1609 59.8632 29.0913 178.3026 8 Q 4.0702 8.4632 119.5368 59.2803 28.3925 178.3971 9 Q 4.0389 8.1983 119.1140 58.8890 28.7021 178.7379 10 V 3.6947 8.1102 119.4914 66.3631 31.4880 178.1250 11 L 4.2200 8.3774 118.1802 57.1609 41.2202 179.0685 12 N 4.3288 8.1968 116.9239 56.6830 39.2825 176.5891 13 V 3.7187 8.1618 119.9958 65.9457 31.5171 177.7716 14 W 4.1634 8.7295 128.2467 60.2735 30.2565 178.0228 15 G 3.6338 7.7137 105.0564 47.6860 0.0000 175.5077 16 K 3.9992 7.8945 120.6445 59.1631 32.0293 179.6131 17 V 2.6986 6.9376 117.9851 65.6793 31.1508 177.7708 18 E 3.8337 7.5801 116.6206 58.6882 29.2654 178.7662 19 A 4.1904 7.2785 119.3560 53.8727 19.8519 177.6687 20 D 4.6959 7.8441 116.3877 52.2649 42.8158 175.4111 21 I 3.6295 7.8760 124.8603 64.0343 37.5894 177.6102 22 A 4.0659 7.9749 121.2003 55.0359 18.2809 179.7905 23 G 3.6322 8.2162 105.5429 47.7880 0.0000 175.7160 24 H 4.1551 8.3548 119.1659 58.3270 28.6763 178.2370 25 G 3.5126 8.3869 107.9335 47.6625 0.0000 175.3888 26 Q 3.8595 8.2709 122.6101 59.1325 28.9935 178.5276 27 E 3.8849 8.0677 119.4259 59.1386 29.3723 179.5713 28 V 3.5103 7.9437 118.5659 66.0250 31.5610 178.1597 29 L 3.4182 7.7673 118.6669 57.6113 41.2497 179.6217 30 I 3.6133 7.8258 120.1690 64.1007 36.9927 178.4124 31 R 3.7764 8.1210 119.9376 59.1976 29.9230 178.2450 32 L 3.9383 7.8100 120.0500 58.4206 41.8928 179.0953 33 F 4.5966 8.1603 118.2848 60.7307 38.5920 177.8353 34 T 4.0912 8.1684 109.1156 64.4904 68.8918 176.9006 35 G 3.6350 7.9474 107.6115 46.2747 0.0000 173.7527 36 H 4.7992 8.0007 117.5990 52.0933 29.9252 171.9003 37 P 4.5592 0.0000 0.0000 64.5001 31.3650 177.5304 38 E 4.1051 8.2819 116.3440 59.5287 29.3113 179.1852 39 T 3.8315 8.3002 111.3856 64.4712 68.7969 176.3616 40 L 3.4917 7.8810 122.7584 57.8410 41.7925 178.6101 41 E 4.1056 7.8571 117.3471 58.4359 29.4768 178.6747 42 K 4.4677 8.0422 117.6343 57.0106 32.8142 177.4354 43 F 4.6128 8.1991 119.1774 55.3536 39.6266 175.4169 44 D 4.3686 8.5697 125.0360 57.0180 40.9100 178.7557 45 K 4.2032 7.8323 114.9328 57.3309 33.1263 176.8910 46 F 5.0769 8.0698 117.6258 57.0985 40.5303 177.0632 47 K 3.8493 7.6960 120.0296 59.6239 31.9050 177.8332 48 H 4.3555 8.1209 112.2667 57.1719 28.7870 175.8511 49 L 4.2669 7.4568 120.8425 54.5512 39.6576 176.6210 50 K 4.2798 8.9302 122.9551 57.3321 32.9673 177.8493 51 T 4.7334 7.2922 108.6359 58.8908 73.2332 174.1696 52 E 3.9042 8.7159 121.7796 59.2050 29.6901 178.9254 53 A 3.9877 7.9325 120.5958 55.2095 18.2976 179.2581 54 E 3.9503 8.0650 115.4162 59.7085 29.9668 178.9655 55 M 4.1582 8.0948 118.7434 58.4994 31.8430 179.0350 56 K 3.9795 8.2932 117.4159 59.1256 32.3118 178.6143 57 A 4.3978 7.8798 118.6488 52.0234 18.7800 177.1484 58 S 4.3878 7.4929 113.4231 57.4124 62.6379 174.6973 59 E 4.0619 8.8044 128.5696 59.2507 29.2444 178.6236 60 D 4.4379 8.1778 117.9414 56.9990 41.2748 177.8381 61 L 3.7571 8.1643 121.2510 57.9286 41.9813 179.0868 62 K 3.9185 7.8489 118.6600 59.1893 31.9884 179.1432 63 K 3.9268 8.3205 120.0407 59.9765 32.1030 178.3657 64 H 4.4203 8.8273 118.8066 59.1215 29.7260 177.3785 65 G 3.6309 8.4402 107.9662 48.0626 0.0000 175.7844 66 T 3.8781 8.1597 118.1967 66.3414 68.4769 176.8740 67 V 3.5984 7.7855 120.1155 65.9308 31.5674 178.2337 68 V 3.6026 8.0801 118.2378 66.2534 31.4142 178.1243 69 L 4.2912 8.2350 118.6482 57.8214 41.4243 179.6511 70 T 3.9982 8.3023 116.0184 66.4949 68.3763 176.5054 71 A 3.9891 8.0985 122.7079 55.0892 18.4265 179.4183 72 L 3.6963 8.1082 119.0336 58.1201 42.0996 179.3993 73 G 3.0489 8.4583 106.1813 47.4339 0.0000 175.8428 74 G 3.5953 7.8065 107.1524 47.5191 0.0000 175.5912 75 I 3.8340 7.5986 122.1410 64.1822 37.1288 178.5233 76 L 3.9593 7.8674 120.1487 57.6800 41.1926 179.5549 77 K 3.9527 7.7095 116.6318 58.2209 32.2565 178.5871 78 K 3.9702 7.8879 118.3261 55.7973 32.6216 176.5213 79 K 2.0000 8.3031 118.3049 56.3242 29.7777 175.6509 80 G 3.9361 7.8606 106.2876 45.8451 0.0000 173.9834 81 H 4.5515 7.3035 118.9691 55.3192 27.4512 174.8882 82 H 5.4421 7.3589 110.8566 54.0822 29.8479 175.8347 83 E 3.9228 8.6459 122.2564 60.2509 29.0077 178.7225 84 A 3.9890 7.9314 118.4754 55.1649 17.5401 178.9195 85 E 4.1142 8.0913 116.6595 59.0774 29.6931 178.8303 86 L 4.1978 8.4004 120.7645 57.4165 42.1776 178.3796 87 K 3.8351 8.2630 120.2174 59.2507 32.0252 176.8204 88 P 4.2308 0.0000 0.0000 65.7695 31.0411 178.0238 89 L 3.9916 7.5185 117.0955 57.8587 42.0784 178.7577 90 A 4.0415 8.3167 121.0986 55.4793 18.2594 179.7175 91 Q 3.9597 8.4786 117.1100 58.9237 28.7051 179.0300 92 S 4.0200 8.4887 115.8690 61.7399 63.0973 176.3414 93 H 4.1419 8.6790 119.7470 58.1339 27.8661 177.7038 94 A 2.5800 7.8503 122.6820 54.8843 18.0341 179.7902 95 T 3.6910 7.5118 112.8872 65.6476 68.7603 176.3559 96 K 4.0239 7.4891 120.1065 58.8825 32.6811 177.1484 97 H 4.4282 7.8452 113.3703 55.5103 29.5104 175.1804 98 K 3.7306 7.4599 116.6207 56.5424 28.8712 176.6809 99 I 4.3302 7.9623 120.1481 58.7833 37.7023 174.9167 100 P 4.4889 0.0000 0.0000 62.3458 31.9111 177.3905 101 I 3.5800 8.5396 119.4246 64.0595 37.6753 177.8348 102 K 3.5672 8.0167 120.2010 59.9433 31.7981 178.0333 103 Y 4.1727 8.0223 116.7327 60.7753 37.7818 178.1659 104 L 4.1770 7.8364 119.8722 57.4249 41.7284 178.8130 105 E 3.9595 8.1003 119.4288 59.3268 29.5652 178.7363 106 F 4.5142 8.0960 117.9997 60.9899 39.0328 177.6261 107 I 3.8581 8.2179 117.9599 63.8432 37.8687 178.1097 108 S 4.2269 8.3676 116.3580 61.7616 62.7014 176.2783 109 D 4.4709 8.4857 121.3865 57.4027 40.4851 178.7155 110 A 4.0585 8.3018 121.3448 55.2049 18.3061 179.7542 111 I 3.6781 8.0072 118.2742 64.6095 37.2750 178.6891 112 I 3.8494 7.7505 120.1880 64.6469 36.8732 177.9423 113 H 4.1660 8.4877 119.0750 59.4246 29.6538 177.5198 114 V 3.5565 8.2098 120.3513 65.7973 31.4233 177.9185 115 L 3.8207 8.0147 118.9031 58.1307 41.4341 179.2735 116 H 4.3740 8.1690 115.9368 58.9386 28.4164 177.8862 117 S 4.1533 8.0813 114.4132 61.0160 62.3237 175.7508 118 K 4.1368 8.0985 119.6141 57.3818 33.1473 176.5116 119 H 4.9815 7.8467 116.2569 53.9181 29.5208 171.9185 120 P 4.5853 0.0000 0.0000 63.5418 31.9765 177.4276 121 G 3.9894 9.1287 110.3027 45.7266 0.0000 173.0410 122 D 4.9489 8.3814 118.0005 53.6780 41.5732 175.9237 123 F 4.9492 8.0384 120.0825 55.0682 39.5426 174.8806 124 G 3.8533 8.1113 113.3069 43.1715 0.0000 170.9382 125 A 3.9036 8.3338 121.5714 54.9665 18.2206 179.5622 126 D 4.2158 7.9822 116.9641 56.5837 39.4382 178.5444 127 A 3.9756 7.8030 121.9272 54.7580 18.3936 179.1606 128 Q 3.6022 7.9227 118.5863 58.9943 29.0483 178.6842 129 G 3.5467 8.0645 106.4940 47.7476 0.0000 175.5539 130 A 3.8613 8.0967 123.6179 55.0148 18.4057 179.3900 131 M 4.0364 8.4341 117.1486 59.0436 32.2087 178.4854 132 T 3.8995 8.2699 116.1910 66.6529 68.5894 176.6343 133 K 4.0165 8.0691 120.0550 59.4546 32.0517 179.2827 134 A 3.8480 7.9615 120.9581 55.1302 18.2088 179.7480 135 L 4.1025 8.2269 117.6509 57.7985 41.6713 179.5679 136 E 3.9873 8.5972 119.1472 59.1737 29.3138 179.0410 137 L 3.9688 8.1844 120.5548 58.0476 42.2132 178.5845 138 F 4.1602 8.3914 120.5639 61.5656 39.2772 177.1056 139 R 3.5456 8.3274 118.2989 59.3430 29.8783 178.0037 140 N 4.2971 8.6214 117.3239 56.6892 38.8127 176.7077 141 D 4.3655 8.3443 120.6397 57.1561 40.7867 178.7789 142 I 3.4412 7.5287 120.2133 64.1492 36.9331 178.0884 143 A 3.7598 8.0724 121.7662 55.2167 18.1085 179.5535 144 A 3.9361 7.9720 119.0800 55.2526 18.5004 180.0814 145 K 4.0126 7.8755 117.2009 59.7386 32.0450 179.1587 146 Y 4.2801 8.5396 117.5454 61.0728 37.7723 178.6873 147 K 3.9825 8.5318 120.7577 59.4506 32.0821 178.4318 148 E 3.9822 7.9868 117.9518 59.6785 29.6037 179.0476 149 L 4.2904 7.8800 115.6912 54.6990 41.8502 177.5367 150 G 3.9062 7.8492 106.7976 46.2468 0.0000 173.2156 151 F 4.5414 8.2802 121.7929 57.0602 40.2423 174.8680 152 Q 4.0490 7.2688 125.0636 56.5522 31.0857 175.7465 153 G 3.3227 6.4993 109.3344 46.1058 0.0000 172.8827 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 3.96 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 2 L 8.03 4.31 0.00 0.49 0.69 0.49 -0.91 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 9.55 4.46 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.83 4.66 0.00 2.77 2.85 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 5 G 8.10 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.31 3.93 0.00 2.00 1.74 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 2.23 2.27 0.00 7 W 8.28 4.35 0.00 3.50 3.15 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 8 Q 8.46 4.07 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.20 4.04 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 10 V 8.11 3.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.88 0.00 0.00 11 L 8.38 4.22 0.00 1.84 1.79 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.20 4.33 0.00 2.87 3.05 0.00 0.00 7.11 7.31 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 13 V 8.16 3.72 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 0.82 0.00 0.00 1.20 0.00 0.00 14 W 8.73 4.16 0.00 3.61 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.71 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 16 K 7.89 4.00 0.00 1.60 1.49 0.00 1.45 0.00 0.00 1.32 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.57 7.81 17 V 6.94 2.70 0.67 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 0.05 0.00 0.00 0.24 0.00 0.00 18 E 7.58 3.83 0.00 1.96 1.93 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 2.29 2.06 0.00 19 A 7.28 4.19 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 20 D 7.84 4.70 0.00 2.71 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 21 I 7.88 3.63 1.83 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 1.45 0.79 0.90 0.00 0.00 22 A 7.97 4.07 1.30 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 0.00 0.00 0.00 0.00 0.00 23 G 8.22 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 24 H 8.35 4.16 0.00 3.16 3.23 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 8.39 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.27 3.86 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 E 8.07 3.88 0.00 1.97 1.91 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 2.25 2.39 0.00 28 V 7.94 3.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 29 L 7.77 3.42 0.00 1.46 0.75 0.79 0.44 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 30 I 7.83 3.61 1.77 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 1.35 0.66 0.87 0.00 0.00 31 R 8.12 3.78 0.00 1.93 2.07 0.00 3.04 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 L 7.81 3.94 0.00 1.78 1.48 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.16 4.60 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 34 T 8.17 4.09 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 1.24 0.00 0.00 35 G 7.95 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 36 H 8.00 4.80 0.00 3.07 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.88 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 4.56 0.00 2.15 2.10 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.28 4.11 0.00 2.30 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 2.19 2.57 0.00 39 T 8.30 3.83 4.45 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 0.77 0.00 0.00 40 L 7.88 3.49 0.00 1.45 1.71 -0.19 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.86 4.11 0.00 2.17 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 2.38 2.53 0.00 42 K 8.04 4.47 0.00 2.00 1.80 0.00 1.95 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.77 1.99 7.81 43 F 8.20 4.61 0.00 3.29 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 44 D 8.57 4.37 0.00 2.68 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 45 K 7.83 4.20 0.00 1.61 1.74 0.00 1.35 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.99 0.21 7.81 46 F 8.07 5.08 0.00 2.82 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 47 K 7.70 3.85 0.00 2.04 1.91 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.62 1.64 7.81 48 H 8.12 4.36 0.00 3.29 3.44 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 7.46 4.27 0.00 1.64 1.61 0.85 1.20 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 50 K 8.93 4.28 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.52 7.81 51 T 7.29 4.73 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 52 E 8.72 3.90 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 2.35 0.00 53 A 7.93 3.99 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 54 E 8.06 3.95 0.00 2.12 2.03 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 2.33 2.40 0.00 55 M 8.09 4.16 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 56 K 8.29 3.98 0.00 1.81 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.58 7.81 57 A 7.88 4.40 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.49 4.39 0.00 4.04 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 59 E 8.80 4.06 0.00 2.06 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 2.42 2.32 0.00 60 D 8.18 4.44 0.00 2.90 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 61 L 8.16 3.76 0.00 1.52 1.67 0.66 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.85 3.92 0.00 1.97 1.84 0.00 1.92 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.57 7.81 63 K 8.32 3.93 0.00 1.99 2.14 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 H 8.83 4.42 0.00 3.65 3.55 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 8.44 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 66 T 8.16 3.88 4.45 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 1.23 0.00 0.00 67 V 7.79 3.60 2.22 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 1.05 0.00 0.00 0.99 0.00 0.00 68 V 8.08 3.60 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 0.99 0.00 0.00 69 L 8.23 4.29 0.00 1.79 1.88 0.83 0.85 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 70 T 8.30 4.00 4.45 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 1.26 0.00 0.00 71 A 8.10 3.99 1.45 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 0.00 0.00 72 L 8.11 3.70 0.00 1.59 1.74 -0.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 3.05 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 74 G 7.81 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 75 I 7.60 3.83 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 0.94 0.00 0.00 76 L 7.87 3.96 0.00 1.20 1.53 0.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.71 3.95 0.00 1.62 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.52 7.81 78 K 7.89 3.97 0.00 1.83 1.81 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.59 1.74 7.81 79 K 8.30 2.00 0.00 1.17 0.74 0.00 1.49 0.00 0.00 1.41 0.00 0.00 2.64 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.38 0.71 7.81 80 G 7.86 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 81 H 7.30 4.55 0.00 3.18 3.21 0.00 5.60 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 7.36 5.44 0.00 3.26 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.65 3.92 0.00 2.12 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 2.40 2.48 0.00 84 A 7.93 3.99 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 8.09 4.11 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 2.39 2.42 0.00 86 L 8.40 4.20 0.00 1.67 1.71 0.75 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.26 3.84 0.00 2.07 1.81 0.00 1.85 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 1.48 7.81 88 P 0.00 4.23 0.00 2.32 2.31 0.00 3.69 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 2.28 2.12 0.00 89 L 7.52 3.99 0.00 1.81 1.92 1.03 1.14 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 90 A 8.32 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 91 Q 8.48 3.96 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 92 S 8.49 4.02 0.00 3.95 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 8.68 4.14 0.00 3.48 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 7.85 2.58 0.27 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 95 T 7.51 3.69 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 1.11 0.00 0.00 96 K 7.49 4.02 0.00 1.53 1.61 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.11 1.32 7.81 97 H 7.85 4.43 0.00 3.17 3.15 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 7.46 3.73 0.00 1.95 2.00 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.35 7.81 99 I 7.96 4.33 2.10 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 1.56 0.98 1.19 0.00 0.00 100 P 0.00 4.49 0.00 1.85 2.04 0.00 2.94 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.47 0.00 101 I 8.54 3.58 1.89 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.88 0.00 0.00 102 K 8.02 3.57 0.00 1.73 1.60 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 0.43 7.81 103 Y 8.02 4.17 0.00 3.20 3.10 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 0.00 0.00 0.00 104 L 7.84 4.18 0.00 1.82 1.71 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.10 3.96 0.00 1.99 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 2.40 2.39 0.00 106 F 8.10 4.51 0.00 3.27 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 0.00 107 I 8.22 3.86 2.04 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 1.60 1.40 1.12 0.00 0.00 108 S 8.37 4.23 0.00 4.20 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 0.00 109 D 8.49 4.47 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.30 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 0.00 111 I 8.01 3.68 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.99 0.00 0.00 112 I 7.75 3.85 2.14 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.42 1.16 0.00 0.00 113 H 8.49 4.17 0.00 3.32 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.21 3.56 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 0.99 0.00 0.00 0.99 0.00 0.00 115 L 8.01 3.82 0.00 1.31 0.47 0.48 0.57 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 0.00 116 H 8.17 4.37 0.00 3.40 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.08 4.15 0.00 3.76 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 0.00 118 K 8.10 4.14 0.00 1.54 1.44 0.00 1.54 0.00 0.00 1.21 0.00 0.00 2.58 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.26 1.41 7.81 119 H 7.85 4.98 0.00 3.26 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.75 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 4.59 0.00 2.19 2.08 0.00 3.40 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 121 G 9.13 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 0.00 122 D 8.38 4.95 0.00 2.62 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 0.00 123 F 8.04 4.95 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.11 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 0.00 125 A 8.33 3.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.98 4.22 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.80 3.98 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 0.00 128 Q 7.92 3.60 0.00 1.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 129 G 8.06 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.86 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 8.43 4.04 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 132 T 8.27 3.90 4.42 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 1.23 0.00 0.00 133 K 8.07 4.02 0.00 1.80 1.66 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 134 A 7.96 3.85 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 0.00 135 L 8.23 4.10 0.00 1.89 1.83 1.05 0.76 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 0.00 136 E 8.60 3.99 0.00 2.19 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 2.35 2.48 0.00 137 L 8.18 3.97 0.00 1.87 1.95 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.39 4.16 0.00 3.15 3.29 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 0.00 139 R 8.33 3.55 0.00 2.07 2.04 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 140 N 8.62 4.30 0.00 2.84 2.78 0.00 0.00 7.25 8.40 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 0.00 141 D 8.34 4.37 0.00 2.77 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 0.00 142 I 7.53 3.44 1.48 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.20 0.14 0.00 0.00 143 A 8.07 3.76 1.28 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 0.00 144 A 7.97 3.94 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 0.00 145 K 7.88 4.01 0.00 1.93 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.54 4.28 0.00 3.15 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 0.00 147 K 8.53 3.98 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 7.99 3.98 0.00 2.22 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 2.37 2.66 0.00 149 L 7.88 4.29 0.00 1.80 1.70 0.84 0.89 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 0.00 150 G 7.85 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 0.00 0.00 0.00 151 F 8.28 4.54 0.00 2.71 2.64 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 0.00 152 Q 7.27 4.05 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 153 G 6.50 3.32 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 0.00