NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.3350 0.0000 0.0000 58.7133 34.4984 180.6808 13 K 3.7378 7.7667 121.7985 56.1461 29.9999 176.4318 14 G 3.9904 9.2190 106.8017 45.9028 0.0000 172.4004 15 V 4.5801 7.1363 112.2634 59.7762 36.4750 176.5947 16 S 4.2652 8.8677 121.1779 58.0353 63.3400 174.5611 17 V 4.1224 8.0107 128.3041 62.7931 31.2398 176.0500 18 E 4.0940 8.2523 118.1770 56.6942 30.9164 177.0346 19 V 4.5532 8.1613 121.6277 60.9036 32.4549 174.8819 20 A 4.3130 8.0316 126.7802 50.2170 19.5855 175.1401 21 P 4.0212 0.0000 0.0000 65.7606 31.1196 177.0220 22 G 3.9859 8.5113 107.6965 45.8762 0.0000 173.2367 23 R 4.7272 7.0092 120.0326 56.1934 33.0303 174.5429 24 V 4.8366 7.2079 106.5520 61.3636 35.3416 171.6262 25 K 3.9285 8.7470 124.3432 56.8997 32.4228 177.6978 26 V 4.8149 7.8935 129.6438 61.0753 29.9540 175.1595 27 K 4.4345 8.0333 124.8995 55.2659 34.0985 176.9142 28 G 4.1708 8.0928 106.5950 45.7125 0.0000 169.8484 29 P 4.0129 0.0000 0.0000 66.5867 31.2053 177.3349 30 K 4.0984 6.8755 125.9351 57.4326 33.0540 177.3082 31 G 4.3794 6.3862 112.6468 44.6307 0.0000 171.9570 32 E 4.5780 8.0776 123.0278 55.8166 30.7954 175.3134 33 L 4.9038 8.2344 122.8788 53.4329 46.9520 174.6969 34 E 4.7432 8.6668 119.0720 54.8251 32.6944 176.7755 35 V 4.1428 8.2668 123.0963 60.5212 32.6779 172.4111 36 P 4.6982 0.0000 0.0000 63.4160 32.0118 175.8576 37 V 4.4285 8.8789 119.9528 61.1941 34.5787 174.0413 38 S 4.0503 9.0067 121.5565 57.7412 63.3750 174.7740 39 P 4.7159 0.0000 0.0000 62.5515 30.2997 175.4933 40 E 4.7377 9.3588 119.4316 55.9320 31.8649 175.0038 41 M 2.9996 9.1008 116.5047 54.9083 31.3644 175.6337 42 R 3.6995 7.7455 128.9922 56.2438 27.9049 174.6823 43 V 4.3777 7.8726 114.8887 59.0048 34.4008 176.5805 44 V 4.0663 8.1063 124.8503 62.1069 33.5038 175.0051 45 V 3.9795 8.3690 117.1857 64.7029 30.4626 176.4934 46 E 3.7308 7.8360 115.9018 56.6401 30.2137 175.8374 47 E 3.9232 8.7517 124.5794 57.6662 26.7423 176.0578 48 G 4.1098 8.7800 113.8910 46.2506 0.0000 172.4836 49 V 4.7154 6.9437 114.0046 60.0043 34.1549 174.6585 50 V 4.4592 8.1149 119.5228 62.3906 34.4174 175.0966 51 R 4.7640 8.5365 123.8286 54.3806 33.9395 174.5249 52 V 4.4657 7.9305 116.8932 61.2429 34.6348 176.3645 53 E 4.2468 8.4623 128.4440 56.7949 30.1402 174.8895 54 R 4.1478 8.8291 120.4506 55.1462 30.9750 173.3931 55 P 4.4044 0.0000 0.0000 63.6134 30.0696 180.0210 56 S 4.3805 8.9227 113.3799 58.0162 64.0970 174.1052 57 D 4.8184 8.2584 118.2577 52.1587 40.8564 174.8941 58 E 4.7965 7.8723 121.7149 53.7556 32.8608 177.3623 59 R 4.0418 8.4140 120.3042 58.8731 30.3200 178.5627 60 R 4.1635 7.9349 115.1844 58.3150 30.7827 177.1949 61 H 4.6535 7.9234 114.1125 56.7788 28.6299 176.5084 62 K 3.9618 8.7057 120.8194 59.2460 31.7687 177.6414 63 S 4.8186 7.4153 114.1469 59.1124 64.0664 175.3552 64 L 4.6196 8.0272 121.4592 55.9057 44.5302 177.2564 65 H 4.5913 7.6826 115.6282 55.7417 30.1061 175.6333 66 G 4.2846 7.9666 104.9345 45.2302 0.0000 173.7808 67 L 4.7734 6.9718 120.4520 54.4597 42.8310 175.8709 68 T 4.4691 7.5565 115.5477 64.2278 75.6650 175.9234 69 R 4.0206 8.3170 120.8890 58.3852 31.3640 176.8445 70 T 4.4416 7.1001 106.2159 59.3841 68.1965 176.7895 71 L 3.4984 8.2969 116.8959 55.9820 43.5406 175.5592 72 I 3.9381 7.6129 118.4999 64.4517 37.3387 178.0648 73 A 4.1734 8.2398 121.8178 54.7149 18.2023 179.4891 74 N 4.3147 8.6016 115.6741 56.4206 38.6890 177.4610 75 A 4.0634 8.0204 121.5759 54.9085 17.9250 179.8092 76 V 3.5383 7.3254 115.6784 66.1301 31.5304 177.9557 77 K 4.3946 7.6088 115.2208 57.5335 32.2063 178.8892 78 G 3.8395 7.8990 107.1114 47.4299 0.0000 176.6030 79 V 3.8431 8.0456 115.3580 62.5824 31.4302 177.2480 80 S 4.7235 7.6082 113.7857 57.7072 65.7324 172.9278 81 E 3.9388 8.2975 119.3415 57.2721 25.3113 175.1666 82 G 4.2656 8.7655 108.4076 45.7029 0.0000 173.1302 83 Y 3.4793 9.1713 112.2272 59.8031 37.4164 180.3405 84 S 3.6031 10.2293 122.1568 60.2129 64.6441 170.0187 85 K 3.6674 8.6770 119.3106 56.6205 29.0082 174.7844 86 E 4.8701 7.7670 119.5430 54.0836 33.2300 175.2339 87 L 4.7969 8.5849 120.4234 53.5084 46.4625 176.1351 88 L 5.0492 8.7914 124.0434 53.9691 43.6581 177.2205 89 I 4.5907 8.5100 109.0869 60.7582 40.8314 177.6937 90 K 3.9008 8.8976 118.4701 56.6334 32.6409 174.6353 91 G 3.7365 8.5082 120.3834 45.7670 0.0000 173.6068 92 I 4.3634 7.0516 126.1164 60.3855 35.6737 178.5935 93 G 4.2022 8.6575 112.2157 47.1299 0.0000 170.9566 94 Y 5.3641 7.6316 118.0794 56.4959 42.4956 175.1257 95 R 5.1170 8.0603 116.8764 56.5351 33.3734 172.7792 96 A 4.9059 8.3358 120.2506 50.2973 21.5247 176.7827 97 R 4.3779 8.9418 130.0129 56.1162 30.0401 178.3387 98 L 5.1297 7.6983 114.6916 56.2512 43.5148 174.8593 99 V 3.7159 7.7770 119.2925 63.3115 32.1617 176.2210 100 G 3.7739 8.5200 118.5172 45.1840 0.0000 173.6929 101 R 4.3191 8.3735 122.2512 56.4161 30.2689 175.5881 102 A 4.5917 7.4232 121.6641 50.0702 22.3480 176.0121 103 L 5.0460 8.5085 116.7908 54.3578 44.5699 174.9837 104 E 5.0874 8.7164 120.8963 54.7291 32.1000 174.9784 105 L 4.8451 9.0469 127.3675 54.3820 43.9973 176.5741 106 T 4.5518 8.2957 111.9741 61.2143 70.5476 173.0766 107 V 3.3855 8.2166 121.6590 60.8722 34.8343 176.2341 108 G 4.3098 9.3325 118.7878 47.2834 0.0000 174.6881 109 F 4.5732 8.9907 117.0610 57.0103 38.1486 176.2128 110 S 4.6423 8.8370 119.6946 59.3333 64.4818 174.2026 111 H 4.4787 8.0754 118.3396 53.4868 30.1516 170.1336 112 P 4.2672 0.0000 0.0000 63.0965 31.6055 176.2082 113 V 3.6159 8.4347 125.7307 62.5246 32.4018 175.1907 114 V 3.9485 8.3268 129.3426 62.9054 32.2743 176.0276 115 V 4.3785 9.1554 128.8078 60.4327 32.0327 173.5788 116 E 4.2133 8.4388 125.8046 54.9065 30.4762 174.1530 117 P 4.3591 0.0000 0.0000 61.1211 32.5307 174.2631 118 P 4.4403 0.0000 0.0000 61.4838 32.8989 175.0102 119 E 3.8554 8.4249 119.1389 60.3914 28.6282 176.1060 120 G 4.1995 9.2803 116.2858 45.2192 0.0000 171.7806 121 I 4.7920 7.4838 118.2981 59.4443 41.1413 174.9936 122 T 4.4168 8.2867 122.9268 62.0800 70.2467 174.1196 123 F 4.7622 8.5014 127.1083 56.8921 38.3136 175.0450 124 E 4.3929 9.1749 123.7688 55.0796 31.1384 176.4411 125 V 4.9784 8.0653 120.4724 59.7056 31.3885 173.8831 126 P 4.4335 0.0000 0.0000 63.4868 30.8387 175.5421 127 E 4.4534 8.9789 124.9288 55.6552 29.3239 175.1884 128 P 4.4681 0.0000 0.0000 64.9007 31.4436 176.1309 129 T 4.7482 7.4587 109.6674 60.8565 68.4904 174.4322 130 R 4.5215 7.6227 118.1082 56.8343 34.0748 173.2333 131 V 4.6391 9.4372 127.5812 61.4947 34.2287 174.7101 132 R 4.9695 8.7119 127.3261 55.0233 33.1399 176.0360 133 V 4.7442 9.0069 121.2167 61.8870 34.4522 174.0961 134 S 4.0734 9.2841 125.7054 58.3788 63.8790 173.5074 135 G 4.1607 7.9152 110.2276 44.5875 0.0000 173.0488 136 I 4.0771 8.5473 126.1491 63.7458 38.3811 176.5789 137 D 4.7747 7.6741 125.2620 54.0792 40.9205 174.2268 138 K 4.6974 10.3005 113.5728 56.7600 39.2591 178.6416 139 Q 4.0044 8.2351 116.6856 59.1435 28.7510 178.1402 140 K 3.8230 8.2703 121.3825 59.3598 31.7108 178.5985 141 V 3.6579 7.9178 117.8313 65.6236 31.2777 177.9137 142 G 3.6927 8.0323 105.3084 47.1841 0.0000 175.4002 143 Q 3.9883 8.6078 122.7221 59.0042 28.8895 178.7250 144 V 3.5265 7.9798 118.7050 66.2080 31.3899 177.6745 145 A 3.8297 7.4321 117.6370 55.5462 18.3614 178.9684 146 A 4.3242 8.1545 120.7985 54.6001 18.2371 179.2778 147 N 4.3384 8.4684 114.2929 55.8291 38.5188 177.4660 148 I 3.8600 7.4689 121.4919 63.7365 37.2977 177.8438 149 R 3.7963 8.0455 117.9721 58.3384 30.1770 177.8223 150 A 4.1802 7.4560 120.9637 55.3862 18.2072 179.2882 151 I 3.6826 6.7991 114.8315 62.9240 37.6156 176.2871 152 R 4.5523 8.1077 117.4559 55.1364 34.5244 174.3448 153 K 4.3050 8.5717 122.1718 54.9973 33.2964 174.2850 154 P 3.6290 0.0000 0.0000 65.4053 31.7908 178.6235 155 S 4.1347 7.4779 114.2896 58.6099 62.5852 173.4392 156 A 4.8586 9.5132 133.3438 53.2313 20.1694 177.2392 157 Y 3.7916 8.4356 118.9597 59.9657 38.2050 169.3439 158 H 4.4998 7.9715 112.2506 55.2505 30.8935 173.1808 159 E 5.4799 8.2471 126.7880 57.3750 31.3293 179.7528 160 K 4.6745 8.7403 121.1095 54.0618 31.0178 180.0829 161 G 3.9323 9.1099 119.2951 45.7508 0.0000 172.1914 162 I 4.5026 7.6880 119.1027 60.3782 39.1072 174.5978 163 Y 4.8907 8.8836 121.3164 58.1692 42.9059 176.5370 164 Y 4.3712 9.3062 118.9257 58.5613 38.4566 177.4151 165 A 4.7133 9.7201 129.1471 51.9254 21.4065 178.3371 166 G 4.0156 8.0091 104.4946 45.3019 0.0000 172.3824 167 E 4.5890 8.3569 117.5804 53.8438 33.1510 174.5133 168 P 4.5472 0.0000 0.0000 62.3514 29.5344 174.8371 169 V 3.7260 8.5428 124.8985 63.1904 31.6310 177.8633 170 R 3.4232 8.2592 124.9792 59.1743 30.4370 176.7288 *171 L 4.1254 7.7539 122.3517 53.9223 41.6082 177.9646 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 12 P 0.00 4.33 0.00 2.21 2.06 0.00 3.71 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 1.92 2.11 0.00 13 K 7.77 3.74 0.00 2.02 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.44 7.81 14 G 9.22 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 15 V 7.14 4.58 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 0.83 0.00 0.00 1.01 0.00 0.00 16 S 8.87 4.27 0.00 3.90 3.93 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 0.00 0.00 0.00 17 V 8.01 4.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 18 E 8.25 4.09 0.00 1.97 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 0.00 2.40 2.46 0.00 19 V 8.16 4.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.02 0.00 0.00 20 A 8.03 4.31 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 21 P 0.00 4.02 0.00 2.05 1.93 0.00 3.67 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 2.03 2.10 0.00 22 G 8.51 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 23 R 7.01 4.73 0.00 1.81 2.07 0.00 3.35 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 24 V 7.21 4.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 25 K 8.75 3.93 0.00 1.88 2.07 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.52 7.81 26 V 7.89 4.81 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 0.99 0.00 0.00 0.93 0.00 0.00 27 K 8.03 4.43 0.00 1.76 1.73 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.56 7.81 28 G 8.09 4.17 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 0.00 0.00 0.00 29 P 0.00 4.01 0.00 2.43 1.94 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 30 K 6.88 4.10 0.00 1.78 1.92 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.70 7.81 31 G 6.39 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.08 4.58 0.00 2.00 1.85 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 2.28 2.34 0.00 33 L 8.23 4.90 0.00 1.54 1.48 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.67 4.74 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 35 V 8.27 4.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 36 P 0.00 4.70 0.00 2.11 2.06 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 37 V 8.88 4.43 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.97 0.00 0.00 38 S 9.01 4.05 0.00 3.93 3.75 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 0.00 0.00 0.00 0.00 39 P 0.00 4.72 0.00 2.08 2.06 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 40 E 9.36 4.74 0.00 1.94 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 2.23 2.33 0.00 41 M 9.10 3.00 0.00 2.12 2.08 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 2.65 2.58 0.00 42 R 7.75 3.70 0.00 1.94 1.96 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 43 V 7.87 4.38 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 0.80 0.00 0.00 0.93 0.00 0.00 44 V 8.11 4.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 45 V 8.37 3.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.97 0.00 0.00 46 E 7.84 3.73 0.00 2.16 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 2.38 2.36 0.00 47 E 8.75 3.92 0.00 2.16 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 2.19 2.29 0.00 48 G 8.78 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 0.00 0.00 0.00 49 V 6.94 4.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 50 V 8.11 4.46 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 51 R 8.54 4.76 0.00 1.83 1.82 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 52 V 7.93 4.47 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 0.79 0.00 0.00 0.88 0.00 0.00 53 E 8.46 4.25 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 54 R 8.83 4.15 0.00 2.07 2.27 0.00 3.22 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 55 P 0.00 4.40 0.00 2.13 1.59 0.00 3.83 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 1.78 1.98 0.00 56 S 8.92 4.38 0.00 3.95 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 57 D 8.26 4.82 0.00 2.62 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 58 E 7.87 4.80 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 59 R 8.41 4.04 0.00 1.85 1.93 0.00 3.17 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 60 R 7.93 4.16 0.00 2.11 1.96 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 61 H 7.92 4.65 0.00 3.26 3.33 0.00 5.64 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 62 K 8.71 3.96 0.00 1.77 1.89 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.75 7.81 63 S 7.42 4.82 0.00 3.92 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 64 L 8.03 4.62 0.00 1.85 1.62 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.68 4.59 0.00 3.13 3.27 0.00 5.75 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 66 G 7.97 4.28 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 0.00 67 L 6.97 4.77 0.00 1.70 1.62 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.56 4.47 4.36 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 1.19 0.00 0.00 69 R 8.32 4.02 0.00 1.78 1.96 0.00 3.28 0.00 0.00 3.61 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 70 T 7.10 4.44 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 71 L 8.30 3.50 0.00 1.83 1.54 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.61 3.94 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 0.91 0.00 0.00 73 A 8.24 4.17 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 74 N 8.60 4.31 0.00 2.86 2.88 0.00 0.00 6.75 8.06 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 75 A 8.02 4.06 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 76 V 7.33 3.54 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 1.03 0.00 0.00 1.00 0.00 0.00 77 K 7.61 4.39 0.00 1.87 1.87 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.46 7.81 78 G 7.90 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 79 V 8.05 3.84 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 1.02 0.00 0.00 1.03 0.00 0.00 80 S 7.61 4.72 0.00 4.01 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 81 E 8.30 3.94 0.00 2.20 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 2.39 2.34 0.00 82 G 8.77 4.27 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 0.00 83 Y 9.17 3.48 0.00 3.04 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 84 S 10.23 3.60 0.00 4.09 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 85 K 8.68 3.67 0.00 1.94 2.17 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.26 7.81 86 E 7.77 4.87 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 87 L 8.58 4.80 0.00 1.52 1.59 0.73 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 0.00 0.00 0.00 0.00 88 L 8.79 5.05 0.00 1.77 1.72 0.94 0.61 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 89 I 8.51 4.59 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.97 0.00 0.00 90 K 8.90 3.90 0.00 2.10 1.99 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.30 7.81 91 G 8.51 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 92 I 7.05 4.36 1.71 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 1.25 0.44 0.87 0.00 0.00 93 G 8.66 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 0.00 0.00 0.00 0.00 94 Y 7.63 5.36 0.00 2.98 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 95 R 8.06 5.12 0.00 1.91 2.14 0.00 3.06 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.25 0.00 96 A 8.34 4.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.94 4.38 0.00 1.81 1.74 0.00 3.23 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 98 L 7.70 5.13 0.00 1.57 1.55 1.18 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.78 3.72 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 0.82 0.00 0.00 0.93 0.00 0.00 100 G 8.52 3.77 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 0.00 0.00 0.00 101 R 8.37 4.32 0.00 1.79 1.80 0.00 3.05 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 102 A 7.42 4.59 1.19 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 0.00 0.00 103 L 8.51 5.05 0.00 1.96 1.95 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.72 5.09 0.00 2.04 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 2.25 2.33 0.00 105 L 9.05 4.85 0.00 1.49 1.49 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.30 4.55 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 0.00 107 V 8.22 3.39 0.99 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 -0.12 0.00 0.00 0.95 0.00 0.00 108 G 9.33 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 0.00 0.00 0.00 109 F 8.99 4.57 0.00 2.98 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 0.00 110 S 8.84 4.64 0.00 3.93 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 0.00 111 H 8.08 4.48 0.00 3.09 3.21 0.00 5.93 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 0.00 112 P 0.00 4.27 0.00 2.50 2.12 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 113 V 8.43 3.62 1.98 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 0.79 0.00 0.00 0.70 0.00 0.00 114 V 8.33 3.95 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 0.77 0.00 0.00 0.91 0.00 0.00 115 V 9.16 4.38 2.31 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 1.01 0.00 0.00 1.03 0.00 0.00 116 E 8.44 4.21 0.00 1.94 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 2.14 2.17 0.00 117 P 0.00 4.36 0.00 1.91 0.49 0.00 3.47 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 118 P 0.00 4.44 0.00 2.21 2.16 0.00 3.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 119 E 8.42 3.86 0.00 1.93 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 2.27 2.29 0.00 120 G 9.28 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 0.00 0.00 0.00 0.00 121 I 7.48 4.79 2.02 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 1.36 0.74 1.23 0.00 0.00 122 T 8.29 4.42 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 0.00 123 F 8.50 4.76 0.00 2.76 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 0.00 124 E 9.17 4.39 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 125 V 8.07 4.98 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 1.11 0.00 0.00 126 P 0.00 4.43 0.00 2.23 2.10 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 127 E 8.98 4.45 0.00 2.13 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 0.00 2.24 2.17 0.00 128 P 0.00 4.47 0.00 2.25 2.34 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 129 T 7.46 4.75 4.30 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 1.26 0.00 0.00 130 R 7.62 4.52 0.00 1.87 1.93 0.00 3.12 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 131 V 9.44 4.64 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 0.93 0.00 0.00 0.92 0.00 0.00 132 R 8.71 4.97 0.00 1.80 1.89 0.00 3.20 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 133 V 9.01 4.74 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.52 0.00 0.00 134 S 9.28 4.07 0.00 3.56 2.99 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 0.00 135 G 7.92 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.55 4.08 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.51 0.91 0.00 0.00 137 D 7.67 4.77 0.00 2.64 2.47 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 0.00 138 K 10.30 4.70 0.00 1.84 1.63 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 139 Q 8.24 4.00 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 140 K 8.27 3.82 0.00 2.00 1.88 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.53 7.81 141 V 7.92 3.66 2.24 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 1.03 0.00 0.00 0.95 0.00 0.00 142 G 8.03 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 0.00 0.00 0.00 0.00 143 Q 8.61 3.99 0.00 2.14 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 144 V 7.98 3.53 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 0.96 0.00 0.00 1.01 0.00 0.00 145 A 7.43 3.83 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 0.00 146 A 8.15 4.32 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 0.00 147 N 8.47 4.34 0.00 2.81 2.92 0.00 0.00 7.17 7.40 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 0.00 148 I 7.47 3.86 1.89 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 1.60 0.84 0.79 0.00 0.00 149 R 8.05 3.80 0.00 1.98 2.28 0.00 3.67 0.00 0.00 3.44 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 150 A 7.46 4.18 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 0.00 151 I 6.80 3.68 1.85 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 1.53 0.80 0.72 0.00 0.00 152 R 8.11 4.55 0.00 1.73 1.79 0.00 3.34 0.00 0.00 3.51 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 153 K 8.57 4.31 0.00 1.84 1.80 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 154 P 0.00 3.63 0.00 2.03 1.93 0.00 3.67 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 1.98 2.08 0.00 155 S 7.48 4.13 0.00 3.80 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 0.00 156 A 9.51 4.86 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 0.00 157 Y 8.44 3.79 0.00 3.03 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 0.00 158 H 7.97 4.50 0.00 3.25 3.68 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.25 5.48 0.00 1.96 1.23 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 2.01 2.07 0.00 160 K 8.74 4.67 0.00 1.78 0.74 0.00 1.89 0.00 0.00 1.33 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.04 1.30 7.81 161 G 9.11 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.69 4.50 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 1.02 0.00 0.00 163 Y 8.88 4.89 0.00 2.96 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 0.00 164 Y 9.31 4.37 0.00 2.98 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 0.00 165 A 9.72 4.71 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 0.00 166 G 8.01 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 0.00 0.00 0.00 167 E 8.36 4.59 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 168 P 0.00 4.55 0.00 2.39 2.31 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 169 V 8.54 3.73 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 0.82 0.00 0.00 0.97 0.00 0.00 170 R 8.26 3.42 0.00 1.95 2.01 0.00 3.23 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 *171 L 7.75 4.13 0.00 1.43 1.52 0.92 0.72 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.