NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8384 8.1633 120.6225 55.5791 33.9973 173.9302 2 V 4.8265 8.7031 118.9702 58.6781 35.9420 172.7707 3 L 4.1349 9.1170 128.7333 53.7644 44.0528 174.7518 4 I 4.8439 8.5215 128.1250 59.8730 39.0428 174.6408 5 L 5.0898 9.2101 127.7329 52.8464 45.0695 175.5386 6 N 5.4433 8.9095 119.5340 51.7972 42.7066 174.9732 7 G 4.2617 8.5088 112.2367 43.2842 0.0000 171.1768 8 P 4.3324 0.0000 0.0000 64.6195 31.8428 177.2867 9 N 4.5942 9.6107 118.4261 53.7057 37.7529 176.3187 10 L 4.1464 7.5440 117.8735 56.3734 41.9174 178.7208 11 N 4.3633 8.1943 115.5856 55.3174 37.5976 175.4689 12 L 4.4764 7.7464 118.4999 54.1651 41.8149 175.8724 13 L 4.0463 7.3449 122.1978 56.7164 42.3567 177.1845 14 G 4.0815 9.1678 113.1244 45.4047 0.0000 174.2459 15 R 4.3420 7.4950 116.5567 57.0588 31.9427 176.0576 16 R 3.7627 7.8953 114.1843 57.1702 29.0186 175.9491 17 E 3.9819 8.7804 123.9371 55.1354 30.0996 171.5628 18 P 4.7400 0.0000 0.0000 64.6436 32.8543 177.6559 19 E 3.9327 8.1243 118.0072 58.6113 29.6569 178.7459 20 V 3.5220 7.7149 117.1604 65.7380 31.9603 176.1538 21 Y 4.3583 7.9094 115.4353 58.8041 38.7345 176.1036 22 G 3.9729 7.9027 103.9571 44.6380 0.0000 173.0823 23 R 4.2603 8.3959 113.4820 57.5985 30.2835 176.9550 24 T 4.2186 7.8637 109.3592 61.7332 69.3890 174.5274 25 T 4.6051 8.4067 117.2538 59.2260 71.9904 175.7266 26 L 3.9248 8.2856 122.2133 58.4995 42.0404 178.5546 27 E 3.7956 8.1387 117.6813 59.7302 29.4597 179.1506 28 E 3.8288 7.7515 118.2729 59.2678 29.4264 179.3231 29 L 3.7308 8.0566 120.9856 57.8454 42.1456 178.8477 30 E 2.6506 7.5743 117.5059 58.8635 29.4100 179.0448 31 A 3.9855 7.5458 121.4997 54.3389 18.3490 179.4629 32 L 3.2144 7.5195 119.1838 58.1760 42.0080 178.8783 33 C 4.3855 7.7042 116.6905 62.6538 27.9499 175.5500 34 E 3.8597 8.3807 121.1052 59.4718 29.1332 178.9021 35 A 3.9873 7.6859 120.3202 54.7346 18.0965 179.6768 36 W 4.6633 8.2800 117.8194 59.6536 29.0323 179.1826 37 G 3.5274 8.5601 105.7650 47.7545 0.0000 175.7578 38 A 4.0180 8.2596 124.3208 54.7576 18.2617 179.2980 39 E 3.8813 8.3524 114.8678 58.8231 29.4779 177.9644 40 L 4.5427 7.5174 116.7754 55.4628 40.5558 176.7858 41 G 4.1236 8.6014 106.5833 45.3376 0.0000 173.5629 42 L 4.7764 8.1818 119.6540 52.4508 44.5153 176.6770 43 G 3.9549 8.7720 111.3528 46.1075 0.0000 172.7850 44 V 5.3760 8.4357 116.4627 59.4004 35.6561 175.3614 45 V 4.6366 8.4060 121.6244 60.0893 35.0389 173.9245 46 F 5.1903 8.8324 124.7703 56.6170 41.9602 173.9476 47 R 4.6214 8.4078 124.0178 54.3342 34.0913 174.1373 48 Q 5.2458 8.6263 121.4262 55.0342 32.7185 173.9027 49 T 4.8941 8.9689 118.1354 60.9958 71.1975 173.8584 50 N 4.7374 9.0536 122.3082 53.7446 39.5649 175.0369 51 Y 4.4459 7.8902 118.0487 55.5698 40.3779 175.5521 52 E 3.9208 8.8334 125.9140 59.5671 29.8027 178.8682 53 G 3.7396 8.2257 105.0351 48.0413 0.0000 175.0960 54 Q 3.4492 7.7834 120.8431 58.7675 29.1499 177.6327 55 L 3.9019 7.2015 119.5656 58.1471 41.6298 179.7616 56 I 3.6726 7.8147 119.3215 64.4643 36.9311 178.2883 57 E 3.9495 8.3432 119.6880 59.3296 29.0536 179.6099 58 W 4.4667 8.1179 118.1784 59.9463 29.5567 178.8095 59 V 3.8550 8.2013 112.5486 64.4231 30.7477 178.5260 60 Q 4.1676 8.2763 117.3806 58.5567 28.7889 177.8977 61 Q 4.3884 7.9775 117.8733 56.2174 29.4844 177.0450 62 A 4.2263 7.6581 120.9857 56.3715 18.4923 179.3620 63 H 4.5122 8.3238 113.1553 58.9217 28.5406 177.6807 64 Q 3.9844 7.6018 119.3630 58.2025 28.6393 177.2254 65 E 4.3259 7.7045 117.7056 56.0507 29.7302 177.4504 66 G 3.8337 7.9270 107.4552 45.3157 0.0000 174.3051 67 F 4.4076 7.4605 117.5399 57.6049 39.3505 174.8226 68 L 4.7096 8.8589 124.3391 55.5486 43.5426 175.9860 69 A 4.6809 7.6527 117.2183 51.5186 22.5430 174.8304 70 I 4.8470 8.4556 121.1178 59.4952 40.1824 174.8228 71 V 4.6709 8.8064 127.3069 61.1129 33.7753 174.2253 72 L 4.8840 8.8379 129.3608 53.6248 45.4622 174.3626 73 N 5.2520 8.7610 125.9980 50.1660 39.3921 173.0215 74 P 4.4426 0.0000 0.0000 62.2511 32.5417 178.0742 75 G 4.0960 8.3892 108.0056 46.2439 0.0000 175.2588 76 A 4.4734 8.5615 121.2511 54.2707 19.0930 179.5679 77 L 3.4474 7.6627 115.9331 57.2852 41.4482 179.0214 78 T 3.8029 7.9109 113.1976 64.5890 66.9504 174.5013 79 H 4.9646 8.3354 117.4724 55.5689 29.4062 175.2258 80 Y 4.5963 7.2380 114.5633 56.2236 41.3640 175.8552 81 S 4.2166 7.4849 116.9228 57.6485 61.3699 173.3618 82 Y 4.2944 8.1711 125.4685 59.7661 38.0876 177.1073 83 A 4.0674 7.9978 122.0171 54.8854 18.4499 179.1914 84 L 3.9050 7.6799 119.1191 57.9334 42.1127 178.9336 85 L 3.9266 7.4923 119.0867 58.4085 41.8799 178.8031 86 D 4.4194 7.9880 117.1701 57.0476 40.9547 178.5642 87 A 4.1473 7.8691 121.5139 55.1656 18.2895 179.6074 88 I 3.6932 7.7747 110.5214 64.4732 37.3313 178.3336 89 R 4.0893 8.2182 119.3456 58.3758 29.6588 177.7589 90 A 4.5195 7.6664 118.4772 51.4514 18.8933 176.5677 91 Q 4.5510 7.1537 114.8286 54.2369 31.8049 173.2917 92 P 4.6295 0.0000 0.0000 62.9708 32.2853 175.8375 93 L 4.4856 8.2229 120.0412 53.5852 42.6655 175.1553 94 P 4.4258 0.0000 0.0000 63.1909 32.6965 175.0002 95 V 4.8286 8.4528 122.3629 61.1318 34.5047 173.8469 96 V 4.6558 8.6913 128.2772 61.2991 33.3841 174.1730 97 E 4.8105 8.7702 129.2566 55.6056 30.8557 175.1151 98 V 4.9111 8.4327 124.8655 61.7258 35.6657 173.5519 99 H 4.9148 9.0627 122.8518 54.1609 33.1628 174.4153 100 L 4.4602 9.1222 122.2033 57.9037 42.4218 177.5872 101 T 4.5286 7.8205 106.4280 59.5673 70.8853 173.6936 102 N 4.4001 8.2180 120.9771 52.7362 38.5662 175.6985 103 L 3.8472 8.3404 126.8662 57.6393 41.7888 177.9355 104 H 4.5850 8.1085 113.3348 55.7712 28.8901 175.2602 105 A 4.6936 7.6199 121.5753 51.6992 19.6832 177.0740 106 R 4.7785 7.2501 117.4083 55.9849 32.3736 175.5452 107 E 4.0472 8.2154 119.6379 56.9726 30.5101 177.3645 108 E 3.8876 8.8024 122.5991 59.3248 29.5751 179.2862 109 F 4.3127 8.0260 113.0595 59.4000 38.1902 177.3513 110 R 3.1794 6.4264 119.3657 58.5825 29.8530 178.1982 111 R 4.0108 7.7927 116.5643 57.9177 30.5940 176.1629 112 H 4.9169 7.9270 114.2305 53.4287 30.2297 173.1714 113 S 4.6271 8.4598 118.0037 56.4720 63.8036 174.0608 114 V 3.8010 8.2350 121.3997 62.8772 31.9169 177.3304 115 T 4.1211 7.7095 109.9054 63.3121 70.0516 176.5643 116 A 3.9539 8.2676 125.5978 54.8228 18.3390 177.7648 117 P 4.2833 0.0000 0.0000 64.7100 31.4276 176.8099 118 A 4.5918 7.7829 118.8571 51.9071 19.8540 176.3644 119 C 4.6638 7.6214 113.4234 58.4640 29.6015 174.0817 120 R 4.0499 8.6205 122.3696 59.2303 30.2861 176.6769 121 G 3.9940 7.4821 102.7843 46.0366 0.0000 171.3976 122 I 5.4136 8.1414 119.0539 59.4060 41.2802 174.8796 123 V 4.7996 8.9248 128.1996 60.1476 34.7225 174.5027 124 S 5.1141 9.0736 116.7348 58.7837 65.2608 174.4878 125 G 3.7118 8.7767 110.3011 45.5379 0.0000 173.9893 126 F 4.7626 8.4018 118.4581 56.6195 39.9610 177.1410 127 G 4.1502 8.0549 110.4657 45.6827 0.0000 173.7735 128 P 4.5475 0.0000 0.0000 66.1061 31.3416 178.0538 129 L 3.8687 8.0808 117.0669 57.1473 41.5421 179.4575 130 S 4.2559 8.5482 115.8755 61.8108 62.7038 176.1807 131 Y 4.0188 8.6376 119.6499 60.7784 37.6305 178.1256 132 K 3.6513 7.7592 120.1569 59.3959 32.1956 178.7179 133 L 3.8616 7.7725 119.0361 57.3667 41.4639 179.0403 134 A 4.0376 7.8245 120.5493 55.4879 18.3343 179.7895 135 L 4.1101 7.9650 117.4399 57.6184 41.5455 180.0456 136 V 3.7003 7.8888 119.4944 64.5231 31.0752 177.9834 137 Y 4.0268 7.9475 119.9498 60.6691 38.5161 177.8679 138 L 3.6871 7.7721 118.2307 57.6006 41.7300 179.1715 139 A 4.0877 7.7672 119.8887 55.2136 18.4464 179.0553 140 E 3.9424 7.6947 116.3316 58.1986 29.8780 177.2006 141 T 4.1368 6.5240 116.3071 62.5234 70.2557 175.3580 *142 L 4.1415 8.2246 121.6746 54.7166 41.6354 177.4132 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 M 8.16 4.84 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.07 0.00 2 V 8.70 4.83 2.15 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 0.72 0.00 0.00 0.99 0.00 0.00 3 L 9.12 4.13 0.00 0.93 1.13 0.66 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.52 4.84 1.92 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 1.01 0.00 0.00 5 L 9.21 5.09 0.00 1.51 1.62 1.01 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.91 5.44 0.00 2.59 2.64 0.00 0.00 6.66 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.51 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 0.00 0.00 0.00 0.00 8 P 0.00 4.33 0.00 2.20 2.00 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 9 N 9.61 4.59 0.00 2.92 2.99 0.00 0.00 6.85 6.93 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 10 L 7.54 4.15 0.00 1.78 1.73 1.06 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.19 4.36 0.00 2.86 3.21 0.00 0.00 6.04 7.79 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 12 L 7.75 4.48 0.00 1.81 1.68 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.34 4.05 0.00 1.88 1.63 0.69 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 G 9.17 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 0.00 0.00 0.00 15 R 7.50 4.34 0.00 1.82 1.97 0.00 3.35 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 16 R 7.90 3.76 0.00 2.04 2.02 0.00 2.92 0.00 0.00 2.54 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 17 E 8.78 3.98 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 18 P 0.00 4.74 0.00 2.25 2.27 0.00 3.77 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 1.99 1.97 0.00 19 E 8.12 3.93 0.00 1.97 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 2.31 2.23 0.00 20 V 7.71 3.52 1.86 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 0.08 0.00 0.00 0.87 0.00 0.00 21 Y 7.91 4.36 0.00 3.19 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 22 G 7.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.40 4.26 0.00 2.02 2.21 0.00 3.00 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 24 T 7.86 4.22 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 25 T 8.41 4.61 4.22 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 0.00 0.00 0.00 1.28 0.00 0.00 26 L 8.29 3.92 0.00 1.95 1.75 1.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.14 3.80 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 28 E 7.75 3.83 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 29 L 8.06 3.73 0.00 1.76 1.60 0.58 0.76 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 30 E 7.57 2.65 0.00 1.67 1.12 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 1.55 2.08 0.00 31 A 7.55 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.52 3.21 0.00 1.43 0.64 0.58 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.70 4.39 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 3.86 0.00 1.90 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 0.00 2.24 2.28 0.00 35 A 7.69 3.99 1.16 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 0.00 0.00 36 W 8.28 4.66 0.00 3.55 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 37 G 8.56 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.26 4.02 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 39 E 8.35 3.88 0.00 2.11 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 0.00 2.70 2.35 0.00 40 L 7.52 4.54 0.00 1.58 1.81 0.93 0.84 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 41 G 8.60 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 0.00 0.00 0.00 42 L 8.18 4.78 0.00 1.66 1.62 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.77 3.95 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 0.00 0.00 0.00 44 V 8.44 5.38 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 0.96 0.00 0.00 1.02 0.00 0.00 45 V 8.41 4.64 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 0.91 0.00 0.00 46 F 8.83 5.19 0.00 2.94 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 47 R 8.41 4.62 0.00 0.71 0.66 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.93 0.00 48 Q 8.63 5.25 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 49 T 8.97 4.89 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 1.00 0.00 0.00 50 N 9.05 4.74 0.00 2.62 2.65 0.00 0.00 6.82 7.46 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 51 Y 7.89 4.45 0.00 2.78 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 52 E 8.83 3.92 0.00 1.96 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 2.29 0.00 53 G 8.23 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.78 3.45 0.00 1.77 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 55 L 7.20 3.90 0.00 1.79 1.67 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.81 3.67 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.89 0.00 0.00 57 E 8.34 3.95 0.00 2.00 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 2.30 2.42 0.00 58 W 8.12 4.47 0.00 3.28 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 59 V 8.20 3.85 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 0.98 0.00 0.00 0.96 0.00 0.00 60 Q 8.28 4.17 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 61 Q 7.98 4.39 0.00 2.44 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 2.36 2.44 0.00 62 A 7.66 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.32 4.51 0.00 3.49 3.65 0.00 5.66 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 64 Q 7.60 3.98 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.16 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 65 E 7.70 4.33 0.00 2.23 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 0.00 2.38 2.39 0.00 66 G 7.93 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 67 F 7.46 4.41 0.00 3.31 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 68 L 8.86 4.71 0.00 1.63 1.81 0.96 1.18 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 69 A 7.65 4.68 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.46 4.85 1.87 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 1.05 0.81 0.92 0.00 0.00 71 V 8.81 4.67 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 0.89 0.00 0.00 0.98 0.00 0.00 72 L 8.84 4.88 0.00 1.72 1.40 0.92 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.76 5.25 0.00 2.71 2.73 0.00 0.00 7.07 6.98 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 74 P 0.00 4.44 0.00 2.25 2.00 0.00 3.70 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 2.05 2.03 0.00 75 G 8.39 4.10 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 0.00 0.00 0.00 76 A 8.56 4.47 1.54 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 0.00 0.00 77 L 7.66 3.45 0.00 1.76 1.44 0.82 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.91 3.80 4.20 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 1.27 0.00 0.00 79 H 8.34 4.96 0.00 3.51 3.63 0.00 5.69 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 80 Y 7.24 4.60 0.00 3.01 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 81 S 7.48 4.22 0.00 3.44 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.17 4.29 0.00 3.08 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.00 4.07 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 84 L 7.68 3.91 0.00 1.61 1.71 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.49 3.93 0.00 1.81 1.95 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.99 4.42 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.87 4.15 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 88 I 7.77 3.69 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 1.52 0.52 0.98 0.00 0.00 89 R 8.22 4.09 0.00 2.04 2.03 0.00 3.29 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 90 A 7.67 4.52 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 7.15 4.55 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 92 P 0.00 4.63 0.00 2.17 2.15 0.00 3.71 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 93 L 8.22 4.49 0.00 1.60 1.69 1.10 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.43 0.00 2.20 2.26 0.00 3.79 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 2.12 2.01 0.00 95 V 8.45 4.83 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 0.96 0.00 0.00 1.00 0.00 0.00 96 V 8.69 4.66 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 1.02 0.00 0.00 97 E 8.77 4.81 0.00 2.08 1.77 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 2.25 2.29 0.00 98 V 8.43 4.91 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 -0.22 0.00 0.00 0.76 0.00 0.00 99 H 9.06 4.91 0.00 3.07 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.12 4.46 0.00 1.87 1.94 1.12 0.93 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 0.00 101 T 7.82 4.53 4.10 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 1.01 0.00 0.00 102 N 8.22 4.40 0.00 2.58 2.64 0.00 0.00 6.89 6.66 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 0.00 103 L 8.34 3.85 0.00 1.34 1.68 0.68 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.11 4.59 0.00 3.09 3.29 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.62 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.25 4.78 0.00 1.58 1.61 0.00 3.03 0.00 0.00 3.08 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 107 E 8.22 4.05 0.00 1.46 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 2.45 2.31 0.00 108 E 8.80 3.89 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 109 F 8.03 4.31 0.00 3.19 3.26 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 0.00 110 R 6.43 3.18 0.00 1.61 1.80 0.00 2.97 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 111 R 7.79 4.01 0.00 1.91 2.04 0.00 3.09 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 112 H 7.93 4.92 0.00 3.25 3.41 0.00 5.21 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.46 4.63 0.00 3.74 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 0.00 114 V 8.23 3.80 1.55 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 0.12 0.00 0.00 0.56 0.00 0.00 115 T 7.71 4.12 4.20 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 1.13 0.00 0.00 116 A 8.27 3.95 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 0.00 117 P 0.00 4.28 0.00 2.07 2.15 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 118 A 7.78 4.59 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 7.62 4.66 0.00 3.14 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 0.00 120 R 8.62 4.05 0.00 1.89 1.91 0.00 3.50 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 121 G 7.48 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 I 8.14 5.41 1.86 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 1.42 1.04 0.90 0.00 0.00 123 V 8.92 4.80 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.07 0.00 0.00 124 S 9.07 5.11 0.00 3.86 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 0.00 125 G 8.78 3.71 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 0.00 0.00 0.00 126 F 8.40 4.76 0.00 3.33 3.06 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 0.00 127 G 8.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.55 0.00 2.50 2.33 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 129 L 8.08 3.87 0.00 2.02 1.65 0.97 0.61 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 0.00 130 S 8.55 4.26 0.00 3.95 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 0.00 131 Y 8.64 4.02 0.00 3.51 3.28 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 0.00 132 K 7.76 3.65 0.00 0.79 1.06 0.00 1.07 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.96 0.21 7.81 133 L 7.77 3.86 0.00 1.61 1.54 0.22 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.82 4.04 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 0.00 135 L 7.97 4.11 0.00 1.90 1.81 1.20 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.89 3.70 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 0.80 0.00 0.00 0.91 0.00 0.00 137 Y 7.95 4.03 0.00 3.12 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 0.00 138 L 7.77 3.69 0.00 1.84 1.71 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.77 4.09 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 0.00 140 E 7.69 3.94 0.00 1.87 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 2.27 2.30 0.00 141 T 6.52 4.14 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 1.03 0.00 0.00 *142 L 8.22 4.14 0.00 1.41 1.48 0.92 0.74 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 * Residues marked with a * may have inaccurate shift predictions.