NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Q 4.3881 8.2033 118.9668 55.9541 30.8396 174.4415 12 I 4.6515 8.2964 121.5144 58.2677 39.2048 173.2962 13 Q 4.5923 9.3344 126.7735 54.7128 31.8298 173.8433 14 T 5.8261 8.7878 119.8129 59.5063 71.0479 172.6482 15 N 4.9099 8.8545 120.9068 52.9208 37.6523 174.2787 16 Y 4.1941 8.0321 121.4484 58.9534 40.4603 176.5243 17 D 4.0195 7.6583 112.1717 55.3164 36.9055 172.8089 18 K 3.9232 7.4770 122.0362 55.7423 34.1025 174.2197 19 V 4.5100 8.2646 125.9375 60.8032 34.1335 174.7396 20 V 4.2233 7.8377 123.4411 61.3940 33.9138 175.7103 21 Y 4.4706 8.5346 123.2524 58.2148 38.5591 175.5295 22 K 4.6352 7.4625 118.2414 54.2940 36.1120 177.1464 23 F 4.4228 8.6597 119.2172 60.1183 39.2675 176.9692 24 D 4.5941 8.3945 119.9492 57.3694 41.3166 176.9838 25 D 4.6109 7.4332 119.1740 53.3623 39.5829 176.6248 *27 E 4.2002 7.5437 115.1199 56.0837 31.4268 176.8716 28 L 4.6019 7.7052 117.4593 53.7422 43.4363 177.4626 29 D 4.4343 9.3987 121.6434 54.4819 42.8111 177.2917 30 E 3.9819 8.9173 124.7327 60.0756 29.2503 179.3823 31 N 4.2983 8.2485 116.7612 55.7424 38.6338 176.9149 32 L 3.8979 7.5706 121.4391 58.1205 42.1773 178.7610 33 L 3.6694 7.9193 120.2086 58.0413 41.9776 178.8616 34 R 4.0975 8.3413 119.0159 59.4496 30.0085 178.7772 35 G 3.9355 8.2839 107.1018 47.2046 0.0000 175.7021 36 V 3.5349 7.9082 120.9416 65.9414 31.5244 178.1380 37 F 5.0145 7.1714 118.8027 60.1603 38.6099 177.8515 38 G 3.8475 8.5784 104.8058 48.0865 0.0000 174.5108 39 Y 4.1942 7.9081 119.8263 58.0053 38.9862 175.8826 40 G 3.8988 7.8886 105.8280 45.6010 0.0000 174.3441 41 F 4.5433 8.0614 119.3699 57.7084 38.8897 173.8489 42 E 4.8643 8.8818 124.8706 56.4117 31.8672 174.7990 43 E 4.8202 7.8777 117.4734 53.2297 32.7021 174.0250 44 P 4.2022 0.0000 0.0000 63.1838 31.8491 177.2007 45 S 4.5267 8.8008 117.9443 57.0745 65.1881 175.1191 46 A 4.2412 8.4692 124.4060 55.0268 17.7867 179.9809 47 I 3.6662 7.7028 117.3600 64.5010 36.7651 178.5506 48 Q 3.8744 7.6870 118.6624 58.9993 28.2139 178.7605 49 Q 4.1336 8.4628 120.4664 57.3236 28.3880 177.8968 50 R 4.3412 7.1989 117.4987 56.7333 32.1934 176.9347 51 A 4.2541 8.6492 120.8303 54.2650 18.8746 179.3938 52 I 3.5960 7.1173 114.2928 62.2903 37.1772 175.8929 *54 P 4.0391 0.0000 0.0000 62.7864 33.2096 178.6638 55 I 3.7156 7.5328 119.2329 64.3011 36.7772 178.2088 56 I 3.7164 7.7166 119.2633 64.6846 37.1065 178.1409 57 E 4.1650 8.0695 116.9350 57.5731 29.4279 177.7960 58 G 4.0626 7.8999 106.1888 45.0357 0.0000 173.7503 59 H 4.4637 7.6545 116.7836 55.4969 29.6623 175.2419 60 D 4.6539 8.7437 122.0328 54.4960 42.1227 175.3854 61 V 4.8032 8.8880 122.6571 60.8883 35.2400 173.7742 62 L 5.1709 8.8386 129.0001 53.2786 44.5939 174.7447 63 A 5.0797 9.1345 128.4831 50.1574 22.2901 174.5499 64 Q 5.3869 9.3863 124.9491 54.5249 29.0501 174.7500 65 A 4.8200 8.2263 127.2182 50.1438 22.2404 175.4645 66 Q 4.3593 8.7443 120.1030 55.0499 30.0480 176.3414 67 S 4.2464 8.8112 117.0609 58.5475 63.6994 174.0517 68 G 4.4365 8.4234 112.2963 44.1672 0.0000 173.8028 69 T 4.0447 8.1810 115.2267 64.6306 67.0217 176.8676 70 G 3.7043 8.0908 106.9079 47.6468 0.0000 175.2194 71 K 4.1281 8.0040 122.0679 59.3627 32.3942 178.7005 72 T 3.1505 7.9964 116.1259 66.5186 68.4169 176.6179 73 G 3.6220 8.3656 107.7481 48.1802 0.0000 175.3878 74 T 3.7428 7.4534 117.6376 66.6725 68.5162 176.4704 75 F 4.3692 7.4758 115.3664 59.2574 38.2806 177.8415 76 S 4.0452 7.3620 116.3168 61.6308 62.7760 176.4240 77 I 3.5722 7.9879 122.5742 64.1798 36.7572 178.3699 78 A 3.9249 7.6970 121.3180 55.2651 17.7773 179.3701 79 A 3.9998 8.1916 119.3201 55.5840 18.1580 179.9056 80 L 3.9998 7.8755 116.4906 57.8581 41.7183 179.1845 81 Q 4.0845 7.8066 118.4982 58.9399 29.0799 177.8459 82 R 4.1638 7.6677 117.1328 56.8060 30.7389 177.1605 83 I 3.8486 6.8742 119.2534 61.2694 37.8023 175.0816 84 D 4.7220 9.6334 124.8613 52.7562 41.3511 176.7498 85 T 3.9053 8.8288 124.7667 66.8785 68.5944 175.9531 86 S 4.1747 8.1466 114.4940 60.7795 63.1460 174.8431 87 V 3.8692 7.7468 121.3889 62.2039 32.1884 176.5909 88 K 4.5903 8.4812 128.7145 55.3488 32.2194 175.1772 89 A 4.9129 7.3325 120.1777 49.4753 22.7213 174.1700 90 P 4.6024 0.0000 0.0000 63.0059 31.8660 176.2578 91 Q 4.9360 9.8272 121.7476 55.1696 31.9519 175.5824 92 A 5.0251 7.9462 119.6339 49.9532 22.8649 174.8482 93 L 5.8600 8.3230 121.9204 52.1227 46.6598 174.6251 *95 L 4.6209 8.2168 118.7260 54.5579 41.6833 176.2175 96 A 4.9665 8.3174 123.0195 49.3814 22.4322 175.5387 97 P 4.5614 0.0000 0.0000 65.2442 31.8877 177.4738 98 T 4.7889 7.3969 106.7180 58.8526 73.0778 174.7870 99 R 3.8772 8.6322 121.0674 59.6064 30.0913 178.5011 100 E 3.9131 8.2536 118.1964 59.6409 29.5616 178.6465 101 L 3.9867 7.9422 118.3694 57.7698 41.6041 179.5744 102 A 3.9701 8.2194 120.6371 55.2618 18.4095 179.6679 103 L 3.9010 8.2512 117.9280 57.8701 41.5934 179.5970 104 Q 3.9732 8.2858 119.5644 59.2957 28.9997 178.3761 105 I 3.7108 7.7938 120.8417 64.5080 36.9292 178.1868 106 Q 3.9529 8.1491 119.5446 58.9561 28.8773 178.0067 107 K 4.0848 7.8538 120.0764 59.3362 32.5207 178.7869 108 V 3.5808 7.8388 118.6028 65.7633 31.4835 179.6212 109 V 3.8880 7.8000 112.3096 61.0911 31.3816 178.4221 *111 A 4.3149 7.9873 122.1585 52.3464 20.4172 179.8752 112 L 3.8156 7.8027 115.3894 57.5985 40.8050 178.6625 113 A 4.6212 8.2998 120.4391 51.8428 18.9051 178.3560 114 F 4.4108 8.3237 123.8647 62.5029 39.7001 176.0331 115 H 4.4977 7.3505 117.9746 55.1877 28.6969 175.6688 *117 D 4.3781 7.6161 116.8029 54.1872 41.9146 173.8609 118 I 4.6622 7.3656 120.3823 59.2075 40.2148 175.2384 119 K 4.4981 9.3422 126.4717 54.8970 34.0176 175.1000 120 V 4.8302 8.3838 126.7393 61.5207 33.7603 173.6532 121 H 4.8660 8.9789 128.2714 54.3986 32.1053 173.1538 122 A 4.7263 8.1538 127.3769 50.9605 20.1694 176.6884 123 C 4.4968 9.1091 125.6769 58.3002 30.9076 172.1431 124 I 5.0738 7.6301 116.7927 57.7782 41.0499 175.4773 125 G 3.6066 8.8075 110.6553 46.5962 0.0000 172.4046 126 G 3.7067 8.4974 112.1982 45.3801 0.0000 171.8138 127 T 3.8562 7.9828 112.9966 60.9146 69.8716 172.5627 128 S 3.5394 8.4937 124.2150 58.5988 61.9170 174.8607 129 F 4.2176 7.8958 123.9789 59.3312 37.2902 177.3653 130 V 3.8289 7.2104 117.9633 66.1584 31.5941 177.7213 131 E 3.9983 8.0005 117.7849 59.1340 29.3349 178.5806 132 D 4.3297 8.5296 118.5461 57.1722 41.3983 178.2110 133 A 3.9245 7.6140 120.1800 55.2971 17.6689 179.2267 134 E 3.9850 8.3806 117.9909 59.3934 29.3783 179.2782 135 G 3.5074 8.6006 106.1708 47.5058 0.0000 175.4343 136 L 3.8124 7.6415 122.2691 57.0121 41.7873 179.7764 137 R 4.1689 7.5363 120.4130 60.9166 29.4152 182.1443 138 D 5.8374 7.2426 111.2297 51.6738 39.7081 176.2625 139 A 4.1377 7.4881 123.4545 52.9481 19.0643 178.4582 140 Q 4.7845 8.7010 119.1078 55.6130 31.6402 175.6460 141 I 4.8375 7.6507 119.5689 59.4075 40.5863 174.6602 142 V 4.9028 8.9822 128.2161 60.9470 33.8722 174.8098 143 V 4.6279 8.7385 126.8151 59.8394 35.0742 175.7330 144 G 4.0596 8.1104 108.3329 46.3637 0.0000 171.8186 145 T 4.5863 7.5009 108.5462 59.6408 70.8352 173.5342 146 P 4.2234 0.0000 0.0000 65.9880 31.2525 178.9542 147 G 3.7586 7.8404 103.3658 48.1510 0.0000 175.4814 148 R 4.0646 8.0784 120.8851 58.7386 30.1072 179.3192 149 V 3.6909 7.9882 117.8019 65.9080 31.6199 177.6856 150 F 4.2350 8.6737 120.8530 61.4897 39.2540 176.2878 151 D 4.1066 8.6609 117.7976 57.7151 41.0862 178.2845 152 N 4.4417 8.3965 116.4621 56.0845 38.3590 177.5451 153 I 3.9244 7.8506 124.1175 64.6853 36.9643 179.0405 154 Q 3.8192 7.5477 120.7058 60.1517 28.1227 180.4339 155 R 4.2400 7.6381 116.8985 56.1905 30.0602 177.5029 156 R 3.9056 7.4630 118.9771 57.5101 28.0931 178.2122 157 R 4.0199 7.9371 118.0060 57.7181 29.5666 179.9736 158 F 4.9533 8.0658 119.9304 57.2984 39.6901 175.0914 159 R 4.1708 8.7260 127.2273 56.0252 29.9423 173.9849 160 T 4.3696 8.1169 111.8912 60.2011 69.8966 175.8268 161 D 4.2688 8.1071 121.7693 56.0733 39.0642 177.3613 162 K 4.3130 7.8646 117.1275 56.2458 32.8661 176.2335 163 I 3.9640 7.7438 121.6641 61.8633 37.3633 175.8871 164 K 4.4567 9.1506 124.8208 56.2062 34.0444 175.4100 *166 F 5.1935 8.0348 122.7188 58.4612 40.5181 173.3224 167 I 4.4608 8.7295 128.0255 59.6466 38.7328 175.7611 168 L 4.1450 8.8323 128.5132 52.8232 43.1864 174.8075 169 D 4.5520 8.5023 124.4022 53.5468 42.2377 176.2009 170 E 3.7704 8.6441 123.4682 57.0309 27.0805 175.4971 171 A 4.0263 8.1413 122.8082 55.3933 19.3519 179.3726 172 D 4.5134 8.0090 115.5015 56.5489 39.8429 178.2922 173 E 4.2761 8.0267 118.6958 56.4378 29.2552 178.2268 *175 L 4.3581 8.0611 118.8860 54.4116 43.4628 179.1890 176 S 4.1377 8.4503 111.7192 60.6050 62.3224 174.6321 177 S 4.3224 7.9203 114.2365 58.6357 62.8939 174.8811 178 G 3.7636 8.3389 109.4566 45.8158 0.0000 174.6617 179 F 5.2206 7.7928 117.9534 56.5824 38.9182 176.8391 180 K 3.9884 8.1574 121.2705 59.8768 31.7139 177.8256 181 E 3.8286 8.1335 116.7881 59.8348 29.3377 179.0044 182 Q 3.5857 8.0361 118.7811 58.3365 28.8501 178.6950 183 I 3.7650 8.2992 121.2076 64.6134 36.9327 178.1076 184 Y 4.1114 8.4899 116.7714 61.2400 37.8848 178.3341 185 Q 4.1955 8.4575 119.2583 58.9952 28.7377 178.8819 186 I 3.6668 7.9254 120.9737 64.4272 37.0122 178.1808 187 F 3.8073 7.7677 118.7074 60.9746 38.4747 177.9147 188 T 4.1302 7.6426 107.6671 63.9928 68.8308 175.2626 189 L 4.3092 7.6962 119.6251 54.8305 42.1415 176.2826 190 L 4.5613 6.9952 119.0256 51.4589 43.9013 174.5799 191 P 4.2252 0.0000 0.0000 62.5659 31.4326 175.2278 192 P 4.1920 0.0000 0.0000 66.1831 30.8971 177.0934 193 T 4.1941 7.8235 105.8337 62.0151 69.4341 174.7179 194 T 3.9224 7.8914 119.2628 63.9613 68.9026 173.2210 195 Q 4.3496 9.0356 128.4605 56.1867 29.9972 175.2030 196 V 4.6986 9.3667 126.4958 61.1615 34.1647 174.2596 197 V 4.7698 8.9969 127.7818 60.9339 34.6437 173.7793 198 L 5.0345 9.1159 129.6527 53.3691 45.1059 174.6815 199 L 5.2385 8.4320 126.8034 53.2423 44.2516 175.8501 200 S 4.8143 8.8148 116.8298 57.2145 65.7544 175.0894 201 A 4.2112 9.0938 130.8064 54.7005 19.2626 177.2923 202 T 4.5164 7.3980 107.4593 60.7015 69.3657 171.9843 *204 P 4.2245 0.0000 0.0000 62.3100 33.7637 176.8431 205 N 4.3088 8.5706 114.6212 56.6683 38.4113 177.0436 206 D 4.4439 8.2057 119.6849 57.5674 40.8872 179.1472 207 V 3.6460 7.7303 117.8707 66.0890 31.6427 177.8264 208 L 4.0384 8.0751 118.7878 57.7625 41.3580 179.2605 209 E 3.9073 8.8854 119.5837 59.1547 29.5526 178.9597 210 V 3.6111 7.7628 117.8825 66.3789 31.4150 177.8481 211 T 3.8563 8.0056 114.3962 67.2324 68.4375 176.1504 212 T 3.9313 7.9121 113.5146 64.7689 67.4121 175.8071 213 K 3.7884 7.8977 120.7771 57.3853 32.9008 176.8199 214 F 4.4897 7.6546 117.3964 56.4097 39.1957 176.5256 *216 R 3.8186 7.7768 118.4149 56.9568 31.2191 176.4559 217 N 4.0503 8.7239 124.2380 53.7158 37.1474 171.8292 218 P 4.7598 0.0000 0.0000 62.8032 33.2808 178.2333 219 V 4.0934 8.5295 114.9631 61.3250 33.1689 175.3683 220 R 4.9993 9.9971 124.0027 54.5369 33.1768 174.7968 221 I 4.7544 9.0071 125.6227 59.7238 39.3312 174.7153 222 L 4.9973 9.2162 127.2406 52.7390 45.5398 175.4283 223 V 4.2334 9.6784 123.1277 63.7669 31.9346 178.4008 224 K 4.4197 9.7499 132.9322 55.1055 32.3480 173.1431 225 K 4.2300 7.8865 125.7551 54.5462 31.4816 178.4996 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 Q 8.20 4.39 0.00 2.21 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 12 I 8.30 4.65 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 1.13 0.23 0.98 0.00 0.00 13 Q 9.33 4.59 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 14 T 8.79 5.83 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 1.30 0.00 0.00 15 N 8.85 4.91 0.00 2.75 2.88 0.00 0.00 5.84 7.55 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 16 Y 8.03 4.19 0.00 2.82 2.97 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 17 D 7.66 4.02 0.00 2.74 2.97 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 18 K 7.48 3.92 0.00 1.15 1.03 0.00 1.84 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.06 1.02 7.81 19 V 8.26 4.51 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 0.25 0.00 0.00 0.84 0.00 0.00 20 V 7.84 4.22 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 0.92 0.00 0.00 0.89 0.00 0.00 21 Y 8.53 4.47 0.00 2.98 2.93 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 22 K 7.46 4.64 0.00 1.94 1.91 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.43 7.81 23 F 8.66 4.42 0.00 2.96 2.87 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 24 D 8.39 4.59 0.00 2.75 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 25 D 7.43 4.61 0.00 2.73 2.67 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 *27 E 7.54 4.20 0.00 2.00 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 2.24 2.37 0.00 28 L 7.71 4.60 0.00 1.61 1.55 0.96 1.16 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 29 D 9.40 4.43 0.00 2.73 2.54 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 30 E 8.92 3.98 0.00 2.25 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 0.00 2.38 2.43 0.00 31 N 8.25 4.30 0.00 2.93 3.05 0.00 0.00 6.74 6.74 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 32 L 7.57 3.90 0.00 1.55 1.80 0.85 0.55 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 33 L 7.92 3.67 0.00 1.74 1.80 0.50 0.79 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 34 R 8.34 4.10 0.00 2.12 1.96 0.00 3.22 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.60 0.00 35 G 8.28 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 36 V 7.91 3.53 1.50 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 -0.18 0.00 0.00 0.59 0.00 0.00 37 F 7.17 5.01 0.00 3.20 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 38 G 8.58 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 39 Y 7.91 4.19 0.00 3.02 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 40 G 7.89 3.90 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 0.00 0.00 0.00 41 F 8.06 4.54 0.00 3.34 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 42 E 8.88 4.86 0.00 2.04 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 2.27 2.44 0.00 43 E 7.88 4.82 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.62 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 0.00 114 F 8.32 4.41 0.00 3.10 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 0.00 115 H 7.35 4.50 0.00 3.52 3.26 0.00 5.74 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *117 D 7.62 4.38 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.37 4.66 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 1.29 1.02 0.91 0.00 0.00 119 K 9.34 4.50 0.00 1.77 1.65 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.36 7.81 120 V 8.38 4.83 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 0.86 0.00 0.00 0.93 0.00 0.00 121 H 8.98 4.87 0.00 3.25 3.01 0.00 5.62 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 0.00 122 A 8.15 4.73 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 0.00 123 C 9.11 4.50 0.00 2.89 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 0.00 124 I 7.63 5.07 1.86 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 1.23 0.82 0.88 0.00 0.00 125 G 8.81 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.50 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 0.00 127 T 7.98 3.86 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 1.32 0.00 0.00 128 S 8.49 3.54 0.00 3.69 3.64 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 0.00 129 F 7.90 4.22 0.00 3.29 3.38 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 0.00 130 V 7.21 3.83 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 1.07 0.00 0.00 1.14 0.00 0.00 131 E 8.00 4.00 0.00 2.02 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 0.00 2.38 2.33 0.00 132 D 8.53 4.33 0.00 2.87 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 0.00 133 A 7.61 3.92 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.38 3.98 0.00 2.15 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 2.29 2.32 0.00 135 G 8.60 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 0.00 136 L 7.64 3.81 0.00 1.68 1.61 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.54 4.17 0.00 1.95 1.86 0.00 3.22 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 138 D 7.24 5.84 0.00 2.73 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 0.00 139 A 7.49 4.14 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 0.00 140 Q 8.70 4.78 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 141 I 7.65 4.84 1.87 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 1.25 1.08 0.93 0.00 0.00 142 V 8.98 4.90 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 0.56 0.00 0.00 0.53 0.00 0.00 143 V 8.74 4.63 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 0.74 0.00 0.00 0.93 0.00 0.00 144 G 8.11 4.06 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 0.00 145 T 7.50 4.59 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 1.21 0.00 0.00 146 P 0.00 4.22 0.00 1.43 2.02 0.00 2.20 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.84 0.00 147 G 7.84 3.76 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 0.00 0.00 0.00 148 R 8.08 4.06 0.00 1.93 2.15 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 1.77 1.80 0.00 149 V 7.99 3.69 2.34 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 1.23 0.00 0.00 1.01 0.00 0.00 150 F 8.67 4.24 0.00 3.15 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.66 4.11 0.00 2.92 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 0.00 152 N 8.40 4.44 0.00 3.18 2.99 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.85 3.92 1.84 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.59 0.69 0.00 0.00 154 Q 7.55 3.82 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 155 R 7.64 4.24 0.00 1.75 1.95 0.00 3.18 0.00 0.00 3.29 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 156 R 7.46 3.91 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 157 R 7.94 4.02 0.00 1.87 1.84 0.00 3.22 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 158 F 8.07 4.95 0.00 2.79 3.02 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 0.00 159 R 8.73 4.17 0.00 1.87 1.71 0.00 3.29 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 160 T 8.12 4.37 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 0.38 0.00 0.00 161 D 8.11 4.27 0.00 2.76 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 0.00 162 K 7.86 4.31 0.00 2.00 1.89 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.40 7.81 163 I 7.74 3.96 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.89 0.00 0.00 164 K 9.15 4.46 0.00 1.61 1.77 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.50 7.81 *166 F 8.03 5.19 0.00 2.95 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 0.00 167 I 8.73 4.46 1.52 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 1.17 0.91 0.04 0.00 0.00 168 L 8.83 4.15 0.00 1.23 1.34 -0.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.50 4.55 0.00 2.22 2.55 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 0.00 170 E 8.64 3.77 0.00 2.20 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 2.34 2.32 0.00 171 A 8.14 4.03 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 0.00 172 D 8.01 4.51 0.00 2.83 2.97 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 0.00 173 E 8.03 4.28 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 *175 L 8.06 4.36 0.00 2.03 1.80 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 176 S 8.45 4.14 0.00 3.95 4.01 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 0.00 0.00 0.00 177 S 7.92 4.32 0.00 3.99 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.34 3.76 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 0.00 0.00 0.00 179 F 7.79 5.22 0.00 3.22 3.01 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 0.00 0.00 0.00 180 K 8.16 3.99 0.00 1.85 1.79 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.05 1.45 7.81 181 E 8.13 3.83 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 182 Q 8.04 3.59 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 183 I 8.30 3.76 2.25 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.06 1.00 0.00 0.00 184 Y 8.49 4.11 0.00 3.07 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 0.00 185 Q 8.46 4.20 0.00 1.71 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.07 0.00 186 I 7.93 3.67 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.86 0.37 0.00 0.00 187 F 7.77 3.81 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 T 7.64 4.13 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 189 L 7.70 4.31 0.00 1.74 1.64 1.14 0.81 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 0.00 190 L 7.00 4.56 0.00 1.45 1.37 0.51 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 191 P 0.00 4.23 0.00 2.19 2.18 0.00 3.61 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 2.14 2.02 0.00 192 P 0.00 4.19 0.00 2.21 2.29 0.00 3.75 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 2.01 2.00 0.00 193 T 7.82 4.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 194 T 7.89 3.92 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 1.29 0.00 0.00 195 Q 9.04 4.35 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 196 V 9.37 4.70 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 1.15 0.00 0.00 1.38 0.00 0.00 197 V 9.00 4.77 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 0.84 0.00 0.00 0.92 0.00 0.00 198 L 9.12 5.03 0.00 1.62 1.43 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 199 L 8.43 5.24 0.00 1.58 1.59 0.98 0.17 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 0.00 200 S 8.81 4.81 0.00 3.88 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 A 9.09 4.21 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 0.00 202 T 7.40 4.52 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 *204 P 0.00 4.22 0.00 2.33 2.30 0.00 3.81 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 2.00 2.09 0.00 205 N 8.57 4.31 0.00 2.77 2.94 0.00 0.00 6.79 8.08 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 0.00 206 D 8.21 4.44 0.00 2.74 2.81 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 0.00 207 V 7.73 3.65 2.26 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 1.15 0.00 0.00 0.97 0.00 0.00 208 L 8.08 4.04 0.00 1.96 1.72 1.02 0.71 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 0.00 209 E 8.89 3.91 0.00 2.14 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 0.00 2.45 2.37 0.00 210 V 7.76 3.61 2.33 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 1.21 0.00 0.00 1.19 0.00 0.00 211 T 8.01 3.86 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 1.21 0.00 0.00 212 T 7.91 3.93 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 1.22 0.00 0.00 213 K 7.90 3.79 0.00 1.47 1.23 0.00 1.63 0.00 0.00 1.37 0.00 0.00 3.19 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.83 7.81 214 F 7.65 4.49 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *216 R 7.78 3.82 0.00 1.84 1.95 0.00 3.32 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 217 N 8.72 4.05 0.00 2.76 2.87 0.00 0.00 7.27 7.69 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 0.00 218 P 0.00 4.76 0.00 2.12 2.05 0.00 3.82 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 2.00 0.00 219 V 8.53 4.09 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 0.51 0.00 0.00 0.78 0.00 0.00 220 R 10.00 5.00 0.00 1.69 1.81 0.00 3.07 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 221 I 9.01 4.75 1.87 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 1.24 0.85 0.92 0.00 0.00 222 L 9.22 5.00 0.00 1.53 1.57 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 223 V 9.68 4.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 224 K 9.75 4.42 0.00 1.58 1.67 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.32 7.81 225 K 7.89 4.23 0.00 1.86 1.98 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.21 0.95 7.81 * Residues marked with a * may have inaccurate shift predictions.