NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.6839 8.3027 120.1961 56.2217 31.7937 173.7811 3 L 4.9977 8.9788 126.5754 52.9733 45.0606 173.0433 4 Y 5.0086 9.9037 125.6541 56.1669 41.0668 174.0482 5 L 4.9265 8.6996 125.1581 53.0876 43.5532 176.0091 6 I 4.5235 8.4574 125.8136 59.2391 39.9393 175.2317 7 R 4.4723 8.2990 127.9310 55.6484 31.4730 175.5996 8 H 4.4545 8.5255 121.5014 55.8382 29.8514 175.0273 9 G 4.0202 8.6059 107.7063 44.6970 0.0000 173.2932 10 I 3.9558 8.3289 120.1806 61.6863 37.7557 175.9348 11 A 5.0665 8.4530 128.1923 49.4805 21.9125 175.5326 12 E 4.0297 8.8853 118.7072 56.7744 30.0598 178.0365 13 A 4.1271 8.5084 125.3977 51.7045 19.2252 177.5411 14 Q 4.0135 8.5768 119.2792 56.4622 28.7292 176.7092 15 K 4.6083 8.2903 122.1979 54.2037 35.4765 175.3398 16 T 3.9394 8.4488 121.8348 65.2962 68.5189 173.1915 17 G 4.3908 8.7892 122.5841 45.8388 0.0000 173.6954 18 I 3.8522 7.0738 115.0514 59.5618 38.5522 176.3422 19 K 4.1717 8.4092 123.0920 56.0605 32.7891 177.6238 20 D 4.3429 8.6985 121.2525 57.6263 40.8436 178.6423 21 E 4.0273 8.1525 118.4963 58.5994 29.3095 177.7881 22 E 4.3578 7.6266 116.2582 55.1141 30.0811 176.2401 23 R 3.9807 7.2406 121.1656 56.8295 30.6362 175.7716 24 E 4.8245 8.6104 124.8863 54.1749 32.8996 175.2123 25 L 4.5987 9.5074 122.7466 55.3360 42.4950 177.7763 26 T 4.3594 8.4505 113.4015 60.3563 70.5689 175.8157 27 Q 3.9704 8.6434 119.9809 59.6106 28.2042 178.4298 28 E 3.9867 8.1833 120.9943 58.7494 29.7367 178.8396 29 G 3.5626 8.2488 105.9890 47.6704 0.0000 175.8452 30 K 3.9650 8.4692 121.4995 59.1295 32.0470 179.1876 31 Q 4.0606 8.1970 119.8378 59.0972 28.9388 178.2178 32 K 3.8927 8.2117 120.7189 59.9399 32.3832 178.8459 33 T 3.8552 8.0499 115.9751 66.6556 68.2403 176.4892 34 E 4.1206 8.5020 120.7683 59.3056 29.4660 179.5556 35 K 3.9837 8.2734 118.6303 59.4085 32.1472 179.5240 36 V 3.5982 8.0769 118.3968 65.9440 31.4616 177.8387 37 A 4.0149 8.2957 120.7282 55.3478 18.2619 178.8417 38 Y 3.8861 8.3051 118.1997 60.8570 38.8205 178.3825 39 R 3.9501 8.2157 119.4985 59.4927 30.2088 178.2551 40 L 4.0346 8.0378 118.7491 57.9043 41.6393 179.7568 41 V 3.4074 7.6339 117.8946 66.0007 31.2524 178.1795 42 K 3.9302 7.4986 116.7343 59.3007 31.9397 178.5259 43 L 4.2708 7.7664 116.4134 54.7714 41.5533 177.7592 44 G 3.8330 8.1537 107.4426 45.8497 0.0000 174.1914 45 R 4.2508 7.7461 118.2818 56.0719 30.6911 175.8799 46 Q 4.2789 7.7135 118.0627 55.2553 31.6971 173.3669 47 F 5.2783 8.7442 118.3185 55.9622 42.5387 176.0299 48 D 4.4985 9.4197 123.5572 57.2822 41.4466 176.5081 49 L 4.8178 7.7367 115.8756 53.9681 46.3743 174.0491 50 I 4.9288 8.7080 125.5041 59.5352 40.1680 174.5717 51 V 4.9628 9.0932 127.1620 61.4399 34.0906 174.2911 52 T 5.0053 8.8224 121.0902 59.9091 71.0930 173.0282 53 S 4.6205 8.2854 121.5269 57.8251 62.7819 172.6997 54 P 4.4433 0.0000 0.0000 64.0867 31.9345 177.2954 55 L 4.0634 7.7795 121.3910 54.4564 42.8742 177.1870 56 I 3.6054 7.7718 124.0238 64.5606 37.6477 177.9447 57 R 3.8156 8.0733 117.8283 59.4840 29.8715 178.6863 58 A 3.9319 7.7494 119.4982 55.1049 18.4831 179.5506 59 R 3.8460 7.8868 116.6190 59.7455 30.2535 179.3616 60 Q 4.1911 8.3018 117.7733 59.1606 28.7204 179.0977 61 T 3.8302 7.5924 116.5128 66.5725 68.5137 176.5730 62 A 4.0178 8.4790 123.0297 55.3051 18.2975 179.5502 63 E 3.9634 8.6201 117.4497 59.5615 29.5929 179.6845 64 I 3.7370 7.7651 119.8469 64.2624 37.0063 178.4530 65 L 4.0694 7.8378 119.6961 57.7809 41.4790 179.5763 66 L 4.0268 8.1996 118.7691 57.8168 41.3662 179.4800 67 A 4.0931 8.1511 120.0747 54.8656 18.3791 179.3115 68 S 4.3365 7.8203 111.0467 59.7476 63.2720 175.4012 69 G 3.9636 7.8361 110.7897 45.3810 0.0000 174.4371 70 L 3.8896 7.7770 121.8034 57.2479 41.7039 176.9068 71 S 5.0305 7.6249 109.7438 57.5877 65.3887 172.7732 72 C 4.8907 8.6418 117.4165 59.1664 29.5957 173.9846 73 Q 4.8020 8.1361 119.6003 53.8882 31.8756 174.2229 74 L 5.4194 8.6143 124.2830 53.4389 45.4886 175.0361 75 E 4.9581 9.1684 125.2492 54.7347 33.4561 173.4375 76 E 5.2296 8.9124 123.9734 54.8846 32.4251 175.1091 77 S 4.7237 8.6813 115.6285 56.8530 65.8461 174.7546 78 N 4.5249 9.1054 123.7440 55.9945 38.8218 176.8493 79 H 4.3938 8.1441 115.6138 58.6262 28.8846 176.8375 80 L 3.8697 7.7477 116.6773 54.9181 42.0968 176.8427 81 A 4.1700 7.7240 122.6991 50.9314 18.9400 176.6052 82 P 4.1177 0.0000 0.0000 65.2728 31.3543 177.3691 83 N 4.7576 8.0143 113.0020 52.3825 37.4293 175.0734 84 G 4.2317 8.1254 108.6630 44.7556 0.0000 173.4916 85 N 5.2142 8.5782 115.5331 50.3187 41.1679 175.0234 86 I 2.0009 7.8041 123.3603 63.6553 37.6782 178.0876 87 F 4.1915 7.2414 118.0254 60.6161 38.7757 177.2486 88 N 4.4061 8.8225 116.2749 55.8516 38.3258 177.2934 89 W 3.8391 8.0368 129.7617 60.3127 30.7304 177.9534 90 L 3.4976 8.2459 119.0468 57.9437 40.8920 179.4016 91 D 4.0581 7.8640 117.4211 56.6618 40.7879 177.5270 92 Y 4.8266 7.8805 113.9609 57.5605 39.0356 175.1111 93 W 4.4244 7.5202 127.4681 58.4448 33.0446 176.8208 94 L 3.6746 7.9121 119.0621 57.8647 41.9076 178.4368 95 K 3.8081 7.9262 119.8166 59.3073 31.8648 176.6408 96 P 4.0961 0.0000 0.0000 65.6086 31.2800 178.2732 97 K 3.2863 7.0759 115.7991 57.0909 32.8262 176.6935 98 N 3.9469 7.3503 115.1259 54.4378 37.5626 174.0387 99 F 4.4888 7.3572 116.0679 56.6911 40.2675 174.2493 100 P 4.6247 0.0000 0.0000 62.0703 32.2476 176.9431 101 E 3.9608 8.7348 119.1557 59.1751 29.4966 176.9218 102 N 4.6858 8.1124 112.7136 52.6706 37.8583 174.9544 103 A 4.3115 7.6009 122.3428 52.7679 19.0977 177.4175 104 Q 4.9133 10.0782 119.8906 54.4785 32.4646 174.5074 105 I 5.1054 9.0198 124.7370 59.2727 41.1447 174.6211 106 A 5.1458 8.5348 126.7805 49.8675 22.0883 174.9889 107 I 4.7274 8.7564 115.1766 58.9263 40.9451 174.4657 108 V 4.5190 8.7897 126.2925 61.2101 33.2241 173.4687 109 G 3.8371 8.7493 118.0092 45.9416 0.0000 170.9546 110 H 5.1812 8.6060 118.5638 53.9632 32.6251 172.1394 111 E 4.7497 8.2671 119.9282 54.5777 31.2610 175.1931 112 P 4.5196 0.0000 0.0000 63.4218 31.6420 177.5961 113 C 3.7046 7.8771 117.4757 63.4499 27.9589 175.7598 114 L 3.5649 7.7505 120.1922 57.8843 41.3085 180.0177 115 S 4.1155 8.7675 114.3776 61.4215 62.9414 176.2431 116 N 4.6353 8.4902 120.5203 55.9337 38.2964 177.4316 117 W 4.2375 8.7632 120.9099 59.9637 29.1073 178.6327 118 T 3.9299 8.0931 115.7595 66.8359 67.8502 176.5210 119 E 4.1064 8.3924 120.3844 59.3911 29.5281 179.4775 120 I 3.7577 7.9458 119.9093 64.5213 37.1094 178.5443 121 L 4.0849 8.1847 119.7098 57.1964 40.9374 179.3971 122 L 4.1909 8.0605 118.7446 56.7015 41.9367 178.4319 123 W 4.7037 8.5989 126.9128 58.1574 31.4555 176.8740 124 G 4.0535 9.0274 103.6453 45.1691 0.0000 172.7664 125 E 4.7423 7.7069 117.8869 54.6665 32.5155 174.4039 126 A 4.3923 8.5222 127.6302 52.5768 19.0567 177.8155 127 K 4.5550 8.8104 116.1376 55.2410 36.3779 176.0471 128 D 4.3849 8.4105 117.6874 55.7142 37.8246 173.9829 129 S 4.6274 9.6173 111.9260 57.9052 64.2502 174.0329 130 L 4.6184 7.6016 120.8291 52.9696 43.8771 175.8392 131 V 4.0502 8.2273 122.1722 61.1367 32.0297 174.7280 132 L 4.4883 8.2464 129.6418 53.0595 43.4350 176.1112 133 K 4.3082 8.1660 125.4606 54.9123 33.3643 176.4379 134 K 4.0299 8.4153 119.3374 57.2317 32.2857 177.4706 135 A 3.7241 8.5109 124.9802 52.5588 17.3773 178.5819 136 G 3.7237 7.6262 107.7597 45.1227 0.0000 172.5384 *138 I 4.0648 8.1094 118.6308 61.0391 38.7234 174.9975 139 G 3.7273 8.8520 113.8926 44.1445 0.0000 172.1717 140 L 5.0030 8.5301 125.2080 52.6421 46.3107 175.3604 141 K 4.9424 9.4501 123.4994 54.8769 34.2027 174.8071 142 L 5.2684 8.5181 127.3107 52.0174 43.9534 174.8719 143 P 4.4641 0.0000 0.0000 62.7095 31.9296 176.4814 144 E 4.1776 8.7303 118.2099 58.0534 30.1977 176.8875 145 I 4.3132 7.6091 119.5977 60.2487 39.6788 176.1881 146 G 3.8639 8.6872 112.1648 44.4684 0.0000 172.5503 147 S 4.2351 8.2020 113.3125 57.5316 62.9414 172.1757 148 P 4.4758 0.0000 0.0000 63.3460 31.8193 176.0262 149 V 3.7778 7.6439 120.6423 64.3165 31.5034 175.4736 150 G 4.0373 8.6912 114.5676 46.6141 0.0000 173.7672 151 R 4.5758 8.1232 114.2494 55.3559 31.9432 175.5862 152 S 4.8422 8.2867 115.2599 57.6854 64.9081 173.1212 153 Q 4.5618 8.4130 120.0388 55.0127 30.8508 176.1423 *155 F 5.0487 8.5989 113.7601 57.2512 40.0994 175.1448 156 W 5.3839 7.5182 128.7876 56.5176 34.5987 173.2198 157 L 4.5161 8.6654 128.4718 54.4693 44.0084 174.1722 158 T 4.8760 7.9782 120.2164 60.1854 70.3242 171.2070 159 P 4.6788 0.0000 0.0000 60.5925 33.6628 174.9439 160 P 4.2184 0.0000 0.0000 65.7308 31.1143 178.9472 161 R 3.8696 8.0278 114.1058 59.6716 28.9168 177.0961 162 Y 4.8852 7.3720 112.7017 58.1667 37.5815 175.7049 163 L 4.7536 8.4132 118.6485 54.5198 42.6755 176.4123 164 L 4.6548 7.2799 119.1265 53.3666 43.8800 176.0157 165 L 4.3034 8.4537 118.0377 57.6692 42.0300 177.0643 166 E 4.2782 7.8435 121.1641 56.6447 30.5564 174.8887 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 2 E 8.30 4.68 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 3 L 8.98 5.00 0.00 1.86 1.51 1.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 9.90 5.01 0.00 2.55 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.70 4.93 0.00 1.33 1.40 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.46 4.52 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.72 0.86 0.00 0.00 7 R 8.30 4.47 0.00 1.74 1.77 0.00 3.04 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.00 8 H 8.53 4.45 0.00 3.39 3.30 0.00 5.51 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 9 G 8.61 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 10 I 8.33 3.96 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 1.24 0.59 0.89 0.00 0.00 11 A 8.45 5.07 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 12 E 8.89 4.03 0.00 1.80 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 2.49 2.43 0.00 13 A 8.51 4.13 1.22 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 0.00 0.00 0.00 14 Q 8.58 4.01 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 15 K 8.29 4.61 0.00 1.71 1.57 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 16 T 8.45 3.94 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 17 G 8.79 4.39 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 0.00 18 I 7.07 3.85 1.86 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 1.36 0.67 0.90 0.00 0.00 19 K 8.41 4.17 0.00 1.83 2.00 0.00 1.66 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.41 7.81 20 D 8.70 4.34 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.15 4.03 0.00 2.07 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 2.37 2.41 0.00 22 E 7.63 4.36 0.00 2.07 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 2.28 2.28 0.00 23 R 7.24 3.98 0.00 1.99 1.81 0.00 3.32 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.60 0.00 24 E 8.61 4.82 0.00 1.93 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 2.29 2.42 0.00 25 L 9.51 4.60 0.00 1.46 1.59 0.90 0.06 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 26 T 8.45 4.36 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 1.27 0.00 0.00 27 Q 8.64 3.97 0.00 2.25 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 28 E 8.18 3.99 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 29 G 8.25 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 3.96 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.60 7.81 31 Q 8.20 4.06 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 32 K 8.21 3.89 0.00 1.98 1.76 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.46 7.81 33 T 8.05 3.86 4.37 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 1.21 0.00 0.00 34 E 8.50 4.12 0.00 2.19 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 2.35 2.57 0.00 35 K 8.27 3.98 0.00 2.10 1.88 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 36 V 8.08 3.60 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 1.00 0.00 0.00 1.04 0.00 0.00 37 A 8.30 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 38 Y 8.31 3.89 0.00 3.11 3.16 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 39 R 8.22 3.95 0.00 2.12 2.17 0.00 3.30 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 40 L 8.04 4.03 0.00 1.90 1.65 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.63 3.41 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 0.69 0.00 0.00 0.88 0.00 0.00 42 K 7.50 3.93 0.00 1.83 1.78 0.00 1.30 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 1.47 7.81 43 L 7.77 4.27 0.00 1.81 1.67 1.08 0.77 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 44 G 8.15 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 45 R 7.75 4.25 0.00 1.62 1.48 0.00 3.54 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 46 Q 7.71 4.28 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 47 F 8.74 5.28 0.00 2.97 2.94 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 48 D 9.42 4.50 0.00 2.57 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 49 L 7.74 4.82 0.00 1.96 1.58 1.14 1.46 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 50 I 8.71 4.93 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.89 0.00 0.00 51 V 9.09 4.96 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 0.64 0.00 0.00 1.01 0.00 0.00 52 T 8.82 5.01 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 1.20 0.00 0.00 53 S 8.29 4.62 0.00 4.09 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.21 2.15 0.00 3.79 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 1.96 1.97 0.00 55 L 7.78 4.06 0.00 1.83 1.63 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.77 3.61 1.85 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 1.50 1.42 1.05 0.00 0.00 57 R 8.07 3.82 0.00 1.66 1.69 0.00 2.94 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 58 A 7.75 3.93 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 59 R 7.89 3.85 0.00 2.01 1.99 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 60 Q 8.30 4.19 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 61 T 7.59 3.83 4.39 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 1.18 0.00 0.00 62 A 8.48 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 63 E 8.62 3.96 0.00 2.14 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 2.34 2.68 0.00 64 I 7.77 3.74 2.04 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 1.09 0.93 0.00 0.00 65 L 7.84 4.07 0.00 1.97 1.84 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.20 4.03 0.00 1.89 1.75 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.15 4.09 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 68 S 7.82 4.34 0.00 4.10 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 69 G 7.84 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.78 3.89 0.00 1.97 1.74 0.69 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.62 5.03 0.00 4.02 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 8.64 4.89 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.14 4.80 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 74 L 8.61 5.42 0.00 1.63 1.53 0.98 0.88 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 75 E 9.17 4.96 0.00 2.25 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 2.45 2.46 0.00 76 E 8.91 5.23 0.00 2.12 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 2.22 2.31 0.00 77 S 8.68 4.72 0.00 3.87 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 9.11 4.52 0.00 2.83 2.86 0.00 0.00 7.15 8.16 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 79 H 8.14 4.39 0.00 3.42 3.73 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.75 3.87 0.00 1.64 1.48 0.43 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.72 4.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.12 0.00 1.95 2.03 0.00 3.53 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 83 N 8.01 4.76 0.00 2.84 2.90 0.00 0.00 6.01 7.00 0.00 0.00 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 G 8.13 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 0.00 0.00 0.00 0.00 85 N 8.58 5.21 0.00 3.07 3.02 0.00 0.00 5.57 7.71 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 86 I 7.80 2.00 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 -0.36 0.00 0.00 87 F 7.24 4.19 0.00 3.27 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 88 N 8.82 4.41 0.00 3.12 3.29 0.00 0.00 6.68 7.21 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 89 W 8.04 3.84 0.00 3.30 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 90 L 8.25 3.50 0.00 1.74 1.56 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.86 4.06 0.00 1.65 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 0.00 0.00 0.00 92 Y 7.88 4.83 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.52 4.42 0.00 3.35 2.79 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 0.00 94 L 7.91 3.67 0.00 0.50 1.34 1.20 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.93 3.81 0.00 1.73 1.85 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 96 P 0.00 4.10 0.00 1.80 1.98 0.00 3.61 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 2.11 2.13 0.00 97 K 7.08 3.29 0.00 0.91 0.74 0.00 1.10 0.00 0.00 0.96 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.34 0.21 7.81 98 N 7.35 3.95 0.00 2.65 2.60 0.00 0.00 7.28 6.44 0.00 0.00 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 F 7.36 4.49 0.00 3.13 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 0.00 100 P 0.00 4.62 0.00 2.46 2.26 0.00 4.00 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 2.18 2.05 0.00 101 E 8.73 3.96 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 102 N 8.11 4.69 0.00 2.90 2.93 0.00 0.00 5.97 7.26 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 0.00 103 A 7.60 4.31 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 0.00 104 Q 10.08 4.91 0.00 2.14 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 105 I 9.02 5.11 1.93 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.27 1.12 0.00 0.00 106 A 8.53 5.15 0.12 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 0.00 107 I 8.76 4.73 1.52 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.03 0.75 0.00 0.00 108 V 8.79 4.52 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 0.90 0.00 0.00 0.84 0.00 0.00 109 G 8.75 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 0.00 110 H 8.61 5.18 0.00 3.00 3.10 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.27 4.75 0.00 1.86 1.78 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 120 I 7.95 3.76 1.96 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.82 0.00 0.00 121 L 8.18 4.08 0.00 1.92 1.78 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.06 4.19 0.00 1.83 1.82 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.60 4.70 0.00 3.22 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 9.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.71 4.74 0.00 1.94 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 2.33 2.41 0.00 126 A 8.52 4.39 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 0.00 127 K 8.81 4.55 0.00 1.71 1.76 0.00 1.85 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.51 7.81 128 D 8.41 4.38 0.00 2.82 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 0.00 129 S 9.62 4.63 0.00 3.77 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 0.00 130 L 7.60 4.62 0.00 1.59 1.55 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.23 4.05 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 0.75 0.00 0.00 0.91 0.00 0.00 132 L 8.25 4.49 0.00 1.49 1.43 0.75 0.58 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 0.00 133 K 8.17 4.31 0.00 1.73 1.62 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.31 7.81 134 K 8.42 4.03 0.00 1.66 1.77 0.00 1.84 0.00 0.00 2.33 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.28 7.81 135 A 8.51 3.72 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 0.00 136 G 7.63 3.72 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 0.00 0.00 0.00 *138 I 8.11 4.06 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.82 0.00 0.00 139 G 8.85 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 0.00 140 L 8.53 5.00 0.00 1.47 1.52 0.93 0.53 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 0.00 141 K 9.45 4.94 0.00 1.98 1.79 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.43 7.81 142 L 8.52 5.27 0.00 1.62 1.62 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.46 0.00 2.35 2.08 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 2.01 1.98 0.00 144 E 8.73 4.18 0.00 2.12 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 0.00 2.29 2.34 0.00 145 I 7.61 4.31 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 1.35 0.69 0.90 0.00 0.00 146 G 8.69 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.20 4.24 0.00 3.82 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 0.00 148 P 0.00 4.48 0.00 2.32 2.31 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 149 V 7.64 3.78 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 0.84 0.00 0.00 1.03 0.00 0.00 150 G 8.69 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 8.12 4.58 0.00 1.92 1.92 0.00 3.15 0.00 0.00 3.50 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 152 S 8.29 4.84 0.00 3.93 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 0.00 153 Q 8.41 4.56 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.43 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 *155 F 8.60 5.05 0.00 3.09 3.27 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 0.00 156 W 7.52 5.38 0.00 3.37 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 0.00 157 L 8.67 4.52 0.00 1.62 1.51 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 158 T 7.98 4.88 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 0.64 0.00 0.00 159 P 0.00 4.68 0.00 2.08 2.07 0.00 4.07 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 160 P 0.00 4.22 0.00 2.13 2.10 0.00 3.52 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 161 R 8.03 3.87 0.00 1.77 2.04 0.00 2.55 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.00 162 Y 7.37 4.89 0.00 3.10 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 0.00 163 L 8.41 4.75 0.00 1.82 1.76 0.93 1.22 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 0.00 164 L 7.28 4.65 0.00 1.81 1.66 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.45 4.30 0.00 1.66 1.74 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 166 E 7.84 4.28 0.00 1.91 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 2.23 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.