NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 4.2404 8.3016 109.1383 45.7749 0.0000 171.9774 12 Y 4.3655 8.1340 120.0730 56.6245 41.4193 174.0075 13 D 4.1652 9.1060 129.0995 54.7816 40.0144 175.2849 14 E 3.9365 8.1524 119.3881 59.4618 29.5186 178.3832 15 E 3.8729 7.9857 118.7729 59.1065 29.7914 178.6210 16 K 3.8707 7.8697 119.1114 59.4339 32.3283 178.4481 17 V 3.5819 7.8695 118.6219 66.2558 31.3013 177.5670 18 N 4.2929 8.5609 116.2923 56.3597 38.3470 177.3361 19 R 3.8562 8.1019 119.8687 59.6303 30.1530 178.6626 20 I 3.7282 7.9850 119.7597 64.4066 36.9935 178.2763 21 Q 4.0968 8.5845 119.5441 59.0061 28.3086 179.3990 22 G 3.5877 8.0341 105.8216 47.8257 0.0000 174.9540 23 D 4.4704 8.3724 121.1083 56.9997 41.2992 178.1904 24 L 3.9797 8.2033 119.8455 57.9778 41.4098 179.3033 25 Q 4.0433 8.1548 118.7580 59.1453 29.0407 177.7247 26 T 4.1940 7.5539 108.5323 61.5436 69.4871 174.5756 27 V 4.4250 7.0351 121.3225 59.8707 34.5181 176.5882 28 D 4.6449 8.2708 122.1943 53.7639 37.6134 177.0510 29 I 3.7619 7.4439 124.5226 64.0467 37.8078 177.6627 30 S 4.1701 8.2549 113.9016 61.6837 62.1084 176.5574 31 G 3.6150 8.2945 108.1299 47.4647 0.0000 176.0115 32 V 3.5664 7.8003 120.6045 65.8317 31.5229 177.7961 33 S 4.0716 8.2385 113.1608 61.6659 62.1510 176.1575 34 Q 3.9749 8.0320 120.3412 59.1961 28.6489 178.9364 35 I 3.7408 7.8169 119.4612 63.9975 37.9682 177.9312 36 L 4.0371 8.2271 120.2333 57.4537 41.2018 179.2910 37 K 3.9073 8.5182 119.9517 59.3383 31.8962 178.6250 38 A 4.0836 7.7403 120.0601 55.4503 18.4033 179.4129 39 I 3.8895 7.5508 116.4033 64.1492 37.2969 178.1556 40 A 4.0769 8.0433 121.1807 53.8778 18.8092 177.7275 41 D 4.3079 7.3365 115.3623 54.8713 41.9370 177.0176 42 E 3.9341 8.9513 126.2274 59.6731 29.7120 178.9345 43 N 4.3348 8.0959 115.9596 56.3012 38.6479 177.5398 44 R 3.9418 7.9823 119.4432 58.8764 30.0744 178.8749 45 A 4.0765 8.5746 121.2332 54.9819 18.2268 179.8780 46 K 4.0141 7.8168 117.1830 59.4969 32.0835 179.6130 47 I 3.6937 7.8150 120.1035 64.6750 36.8350 178.5027 48 T 3.8672 7.7857 115.0394 66.9724 68.6413 175.6645 49 Y 4.1169 8.2875 121.1606 60.7027 38.7041 178.0538 50 A 3.9864 8.3482 121.9720 54.8600 18.2973 178.9103 51 L 4.2046 7.7730 115.1259 56.2850 42.0030 178.2622 52 C 4.2637 7.6502 116.1980 60.9745 28.3322 173.8670 53 Q 4.3735 7.7933 118.3500 55.8024 29.7040 174.8686 54 D 4.8493 7.5192 115.3735 52.0899 44.6626 174.8026 55 E 4.1777 8.8401 122.9631 59.1374 29.7448 177.4532 56 E 5.1443 7.9311 115.0817 54.8368 33.8228 174.9985 57 L 5.0327 8.9778 122.0283 53.1370 46.5602 175.9723 58 C 5.1400 8.8023 116.9628 57.2370 31.5964 174.8710 59 V 3.6537 8.5969 119.3233 65.1774 30.7736 178.2628 60 C 4.1333 8.0416 116.8735 62.7038 28.0578 175.4697 61 D 4.3923 8.0840 119.9674 57.4972 40.4112 178.8512 62 I 3.7030 7.7699 119.9433 64.2427 37.0175 178.3275 63 A 3.9625 8.2090 121.8562 55.2418 17.9995 179.2733 64 N 4.2579 8.0533 114.3593 56.6837 39.1054 176.8330 65 I 3.8653 7.9540 120.7141 64.6227 37.3576 178.2567 66 L 4.1565 7.9952 118.3871 55.3340 41.8729 177.1376 67 G 3.7312 8.3623 106.2239 47.1017 0.0000 172.9134 68 V 4.5213 7.4174 110.2057 58.3642 35.7890 176.5089 69 T 4.1277 8.0478 111.0994 61.6281 70.5389 175.3198 70 I 3.6576 8.3024 122.8750 64.6359 37.1866 178.3424 71 A 3.9546 8.0195 120.9988 55.3804 18.1389 179.0892 72 N 4.1922 8.1864 115.0170 56.4320 38.9359 176.8773 73 A 3.9740 8.0434 122.2843 55.4086 18.3786 179.6676 74 S 3.9364 8.1362 113.5484 62.1078 62.7876 176.5528 75 H 4.0594 8.1254 120.7247 59.4877 29.4753 177.1060 76 H 4.2350 8.1189 118.0647 58.8367 28.5162 177.7334 77 L 3.7937 8.0718 121.1423 57.6216 41.2356 179.4576 78 R 3.9204 8.1710 118.9036 59.7773 30.0606 178.7002 79 T 3.8489 7.5835 115.3949 66.7223 68.4280 176.6290 80 L 4.0255 8.1754 121.0892 57.8818 41.6378 178.9515 81 Y 4.3544 8.5187 119.8486 60.9237 38.5850 178.4810 82 K 4.0179 8.3134 118.1246 58.8904 32.1763 178.3598 83 Q 4.4525 7.8178 115.7867 54.9797 28.8507 176.1088 84 G 3.8115 7.6798 107.7545 46.4066 0.0000 175.2450 85 V 3.9489 8.2159 122.9687 64.2617 32.6136 176.2620 86 V 5.0655 7.8881 111.3281 59.4904 35.0725 174.3925 87 N 5.6050 9.2651 121.5822 52.1464 42.4102 172.7533 88 F 5.5147 8.5316 114.7734 55.3118 41.0964 173.6581 89 R 4.4672 8.8953 115.8309 54.3828 32.9460 174.1976 90 K 4.5771 8.4256 118.8755 55.9114 34.0982 174.3033 91 E 4.4025 9.1398 120.2124 56.0608 31.9228 177.7989 92 G 4.0263 8.7452 109.0678 48.5609 0.0000 173.7091 93 K 4.1034 7.7490 119.9084 55.0655 33.1657 175.5273 94 L 4.5557 8.1102 124.9642 54.0032 45.6550 173.1845 95 A 4.8627 8.6461 127.9495 51.0260 20.0159 176.2552 96 L 4.8522 9.1687 123.4077 53.2745 44.4024 175.3254 97 Y 5.3386 9.0484 122.1357 56.5995 40.5201 174.9984 98 S 5.1704 9.1067 116.2882 56.1896 67.3522 173.1157 99 L 4.1910 8.7528 120.3223 55.4428 41.4721 177.3786 100 G 4.1830 8.8242 112.4020 48.4584 0.0000 172.9133 101 D 4.5654 7.3306 117.4677 51.6029 42.0731 175.7319 102 E 4.0336 8.3094 117.1156 59.4632 29.2722 178.5060 103 H 4.3764 7.8946 117.1561 59.1261 28.7713 177.6759 104 I 3.7393 7.5714 121.2909 64.3530 36.9217 178.2977 105 R 3.9294 8.0291 119.0746 59.6110 29.8109 178.4099 106 Q 3.9861 8.5073 118.0669 58.9466 28.6718 178.4898 107 I 3.6849 7.9528 121.0321 64.7021 37.1893 177.9356 108 M 4.0437 8.0920 118.5784 59.2041 32.1290 178.2438 109 M 4.1622 8.3591 118.8851 58.4520 32.0837 178.9053 110 I 3.7589 8.5622 120.1929 64.1618 37.2376 178.2886 111 A 4.0058 8.2932 121.8743 55.1630 18.0875 179.6180 112 L 3.8896 8.1425 117.2611 57.8419 41.4782 179.5748 113 A 3.9874 7.8520 119.4026 55.4965 18.5533 178.8127 114 H 4.2058 8.4034 116.7712 59.3919 29.7357 177.4156 115 K 3.9636 7.9473 120.4841 58.8493 32.1084 178.0267 116 K 4.2531 7.7086 116.9791 57.3319 33.0709 176.6095 117 E 4.2207 7.6537 123.3788 56.4804 29.6780 175.6069 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 11 G 8.30 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 0.00 0.00 0.00 0.00 12 Y 8.13 4.37 0.00 2.93 2.83 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 13 D 9.11 4.17 0.00 2.14 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.15 3.94 0.00 1.95 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 2.40 2.32 0.00 15 E 7.99 3.87 0.00 1.99 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 2.35 2.34 0.00 16 K 7.87 3.87 0.00 1.82 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.49 7.81 17 V 7.87 3.58 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 1.06 0.00 0.00 1.03 0.00 0.00 18 N 8.56 4.29 0.00 2.94 2.85 0.00 0.00 6.73 7.67 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 19 R 8.10 3.86 0.00 1.87 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 20 I 7.98 3.73 1.88 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 1.52 0.83 0.92 0.00 0.00 21 Q 8.58 4.10 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 22 G 8.03 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.37 4.47 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.20 3.98 0.00 1.95 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.15 4.04 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 26 T 7.55 4.19 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 27 V 7.04 4.42 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 0.75 0.00 0.00 0.92 0.00 0.00 28 D 8.27 4.64 0.00 2.80 2.60 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 29 I 7.44 3.76 1.87 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 1.52 0.78 0.91 0.00 0.00 30 S 8.25 4.17 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.29 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 0.00 0.00 0.00 32 V 7.80 3.57 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 0.94 0.00 0.00 33 S 8.24 4.07 0.00 3.91 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.03 3.97 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 35 I 7.82 3.74 1.87 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 1.53 1.46 0.99 0.00 0.00 36 L 8.23 4.04 0.00 1.72 1.70 0.92 0.91 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 37 K 8.52 3.91 0.00 1.80 2.12 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 38 A 7.74 4.08 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 39 I 7.55 3.89 1.88 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 0.68 0.93 0.00 0.00 40 A 8.04 4.08 1.38 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 41 D 7.34 4.31 0.00 2.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.95 3.93 0.00 2.10 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 2.36 2.45 0.00 43 N 8.10 4.33 0.00 2.69 2.63 0.00 0.00 7.13 7.66 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 44 R 7.98 3.94 0.00 1.82 2.00 0.00 3.26 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 45 A 8.57 4.08 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 46 K 7.82 4.01 0.00 1.92 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.75 7.81 47 I 7.82 3.69 2.00 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 1.49 0.67 0.88 0.00 0.00 48 T 7.79 3.87 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 1.25 0.00 0.00 49 Y 8.29 4.12 0.00 3.17 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 50 A 8.35 3.99 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 51 L 7.77 4.20 0.00 1.84 1.75 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 C 7.65 4.26 0.00 2.70 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 53 Q 7.79 4.37 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 54 D 7.52 4.85 0.00 2.55 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 55 E 8.84 4.18 0.00 2.00 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 2.33 0.00 56 E 7.93 5.14 0.00 1.81 1.82 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 2.38 2.36 0.00 57 L 8.98 5.03 0.00 1.61 1.53 0.93 0.84 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 58 C 8.80 5.14 0.00 3.06 3.11 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 59 V 8.60 3.65 2.18 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 0.89 0.00 0.00 0.90 0.00 0.00 60 C 8.04 4.13 0.00 3.01 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.08 4.39 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.77 3.70 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.86 0.00 0.00 63 A 8.21 3.96 1.46 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 0.00 0.00 64 N 8.05 4.26 0.00 2.88 2.97 0.00 0.00 7.30 7.25 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 65 I 7.95 3.87 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 1.54 0.78 0.94 0.00 0.00 66 L 8.00 4.16 0.00 1.61 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.36 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 68 V 7.42 4.52 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 0.82 0.00 0.00 0.94 0.00 0.00 69 T 8.05 4.13 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 1.20 0.00 0.00 70 I 8.30 3.66 1.87 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 1.57 0.54 0.91 0.00 0.00 71 A 8.02 3.95 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 72 N 8.19 4.19 0.00 2.84 2.80 0.00 0.00 7.10 8.26 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 73 A 8.04 3.97 1.38 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 74 S 8.14 3.94 0.00 4.04 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 75 H 8.13 4.06 0.00 3.23 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.12 4.23 0.00 3.33 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.07 3.79 0.00 1.36 0.86 0.08 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.17 3.92 0.00 1.81 2.02 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 79 T 7.58 3.85 4.40 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 1.21 0.00 0.00 80 L 8.18 4.03 0.00 1.84 1.77 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.52 4.35 0.00 3.25 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 82 K 8.31 4.02 0.00 1.99 1.88 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.83 7.81 83 Q 7.82 4.45 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.44 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 84 G 7.68 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 85 V 8.22 3.95 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 1.06 0.00 0.00 0.95 0.00 0.00 86 V 7.89 5.07 2.43 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 0.83 0.00 0.00 1.24 0.00 0.00 87 N 9.27 5.60 0.00 2.81 2.73 0.00 0.00 6.92 7.74 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 88 F 8.53 5.51 0.00 2.49 2.38 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 89 R 8.90 4.47 0.00 1.74 1.88 0.00 2.70 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 90 K 8.43 4.58 0.00 1.63 1.76 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.42 1.53 7.81 91 E 9.14 4.40 0.00 1.95 1.64 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 2.18 2.21 0.00 92 G 8.75 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.75 4.10 0.00 1.71 1.72 0.00 1.54 0.00 0.00 2.29 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.45 7.81 94 L 8.11 4.56 0.00 1.78 1.44 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.65 4.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 9.17 4.85 0.00 1.52 1.59 0.92 0.75 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 97 Y 9.05 5.34 0.00 2.90 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 98 S 9.11 5.17 0.00 3.87 4.08 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 99 L 8.75 4.19 0.00 1.57 1.68 0.94 0.95 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 0.00 100 G 8.82 4.18 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 0.00 0.00 0.00 101 D 7.33 4.57 0.00 2.81 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 0.00 102 E 8.31 4.03 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 103 H 7.89 4.38 0.00 3.32 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.57 3.74 1.90 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 1.45 1.40 0.94 0.00 0.00 105 R 8.03 3.93 0.00 1.87 2.09 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 106 Q 8.51 3.99 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 107 I 7.95 3.68 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 1.42 0.79 0.93 0.00 0.00 108 M 8.09 4.04 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.90 0.00 109 M 8.36 4.16 0.00 2.11 2.13 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 2.66 2.98 0.00 110 I 8.56 3.76 1.95 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 1.47 0.69 0.92 0.00 0.00 111 A 8.29 4.01 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 0.00 112 L 8.14 3.89 0.00 1.90 1.72 0.90 0.41 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 0.00 113 A 7.85 3.99 1.38 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 0.00 114 H 8.40 4.21 0.00 3.27 3.47 0.00 5.79 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 0.00 115 K 7.95 3.96 0.00 1.93 1.81 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.47 7.81 116 K 7.71 4.25 0.00 1.88 1.89 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.70 1.43 7.81 117 E 7.65 4.22 0.00 2.02 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 2.34 2.16 0.00