NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1446 8.1627 120.2807 54.8281 33.2593 173.9017 2 K 3.9687 8.4406 128.0527 55.7674 32.5085 175.1214 3 G 3.9533 8.7511 115.9699 45.2283 0.0000 171.5688 4 D 4.5763 8.4994 119.7412 54.4044 42.0529 177.2170 5 T 3.8790 8.7964 122.6468 66.7734 68.6112 176.8632 6 K 3.8508 8.1657 121.0275 59.0686 32.2342 178.8577 7 V 3.9004 8.6397 119.0660 66.1911 31.4519 177.8887 8 I 3.7496 7.6986 119.1933 64.6835 36.8953 178.1111 9 N 4.2699 8.2254 117.0522 56.4264 38.3224 177.0555 10 Y 4.1044 7.9823 118.0386 61.1485 37.9930 178.6201 11 L 3.9198 8.5369 120.1858 57.9938 41.6445 179.4573 12 N 4.3525 8.5546 116.7808 56.0245 38.4367 177.4812 13 K 3.8865 8.1674 121.3356 59.2836 32.3154 178.9110 14 L 3.7949 8.1974 119.6747 57.6017 41.3928 178.9613 15 L 4.0095 7.7516 120.7517 58.3464 42.0339 179.2400 16 G 3.6411 8.2046 105.6201 47.9831 0.0000 175.3644 17 N 4.3922 8.0284 118.7072 56.1333 38.5779 177.4357 18 E 4.1049 8.2556 120.0056 59.3918 29.4593 179.2980 19 L 4.0472 8.2997 119.4290 57.6980 41.5919 179.7654 20 V 3.5589 7.7473 117.5079 66.0505 31.5268 177.9296 21 A 3.8247 8.0942 120.4273 55.0394 18.1893 179.3355 22 I 3.7509 8.3708 118.6824 64.9855 37.2805 178.3857 23 N 4.3906 7.9224 117.0098 56.3802 38.3999 177.4345 24 Q 3.8450 8.2641 121.1361 59.3254 29.1084 177.8392 25 Y 4.3591 8.4153 118.3111 60.9343 37.8937 178.1990 26 F 3.8250 8.5426 121.6740 61.0545 39.5096 176.8028 27 L 3.9424 8.1500 119.9559 58.5689 41.8223 178.4287 28 H 3.7880 8.1648 115.7284 58.8342 28.6250 177.2249 29 A 4.1430 8.3181 122.6789 55.6988 18.1537 179.8867 30 R 3.8527 7.7934 115.4946 58.6237 30.0798 179.2501 31 M 3.4316 7.8715 119.4290 58.1178 31.8390 178.4499 32 F 4.5686 7.4751 117.9462 60.5832 39.1228 177.5405 33 K 3.8971 8.2362 119.2077 59.5860 31.7527 178.1694 34 N 4.2793 7.8764 115.8091 56.5745 39.0252 176.4606 35 W 4.7391 7.9341 117.6587 57.5850 29.3444 177.2007 36 G 3.9769 8.3392 108.0390 46.2661 0.0000 174.3141 37 L 4.6674 8.0507 121.8900 52.7120 38.1968 177.0187 38 K 3.8287 7.9484 123.0688 59.8991 32.6576 177.5595 39 R 3.9294 8.2937 118.9403 59.1917 29.9032 178.3808 40 L 4.0944 7.8599 118.6993 57.0905 41.4959 178.8468 41 N 4.5313 8.1470 116.8255 56.8211 39.0592 176.3591 42 D 4.3348 7.9953 120.2402 57.4391 40.9483 179.1514 43 V 3.4452 7.6662 118.2413 66.1228 31.4899 177.9801 44 E 3.8917 8.4948 118.5724 59.2681 29.2695 178.6542 45 Y 3.8497 8.2063 119.8007 61.1667 38.7907 178.1297 46 H 4.1982 8.3218 116.4405 58.3233 28.7052 177.4988 47 E 3.7049 7.7659 120.8007 58.4925 29.2306 178.7430 48 S 4.1196 7.8535 113.5451 61.6097 62.4016 176.2804 49 I 3.5780 7.3340 122.2351 64.3583 36.7826 177.9510 50 D 4.2589 7.6708 119.5187 57.7075 40.6887 179.0358 51 E 4.2021 8.2027 118.6558 59.4231 29.3331 179.3823 52 M 4.0734 8.0353 118.9964 58.3773 32.0296 178.8301 53 K 3.9325 8.1874 118.7046 59.6939 32.1727 179.1374 54 H 4.0913 8.1365 116.2047 58.7792 28.5920 177.4959 55 A 4.2277 8.4624 122.9858 55.3999 18.1371 179.0263 56 D 4.3011 8.2968 116.4263 57.7488 41.2700 178.7862 57 R 3.8695 7.9073 118.3896 59.4268 30.0224 178.7332 58 Y 4.2785 7.8665 116.4914 61.1640 37.8976 178.5415 59 I 3.8014 8.2475 121.0931 64.6251 37.2478 178.4448 60 E 4.0815 8.5175 119.5329 59.1080 29.1884 179.5070 61 R 4.0287 8.0371 118.9416 59.5553 30.1984 178.3956 62 I 3.7750 8.4004 119.9749 64.6354 37.1551 178.4190 63 L 4.0325 8.0572 119.6284 57.7196 41.2196 179.3712 64 F 4.3704 8.1427 119.6799 61.2246 39.6845 176.5175 65 L 4.3945 8.2279 117.8053 54.0686 41.1276 177.2214 66 E 3.9205 7.9943 117.6287 57.3982 27.0097 174.4420 67 G 3.9653 8.1594 108.6515 44.0038 0.0000 173.6215 68 L 4.5303 8.0188 119.1169 52.0161 42.0242 175.1156 69 P 4.3998 0.0000 0.0000 62.5007 31.7869 175.9717 70 N 4.7345 9.4252 122.1354 52.3902 38.9039 173.9128 71 L 4.6387 8.3549 124.1973 54.5580 42.5209 177.3915 72 Q 4.1350 8.5322 121.9441 57.9595 29.4053 175.8423 73 D 4.6536 8.0622 117.3947 52.8464 41.8100 175.2148 74 L 4.5708 8.3095 125.8378 52.7510 43.9734 176.4552 75 G 3.8062 8.4292 115.4328 44.6408 0.0000 171.8651 76 K 4.0853 8.3121 120.7541 55.8092 32.3754 176.6906 77 L 4.1094 8.3292 126.7245 54.4948 42.2787 176.3276 78 N 4.8054 8.8598 120.5179 52.0027 40.1817 174.3761 79 I 3.8395 8.4911 126.4915 64.1089 37.7078 178.2453 80 G 4.1602 8.2592 102.2561 45.8299 0.0000 172.5571 81 E 4.7909 8.5761 115.8867 55.4582 31.9046 176.3449 82 D 5.0296 7.7238 117.7259 50.4138 43.9810 175.9292 83 V 3.9872 8.5347 118.9526 66.7334 31.3222 177.4382 84 E 3.8572 8.2525 117.8806 59.5722 29.4907 178.3457 85 E 3.9973 8.5601 119.2314 59.5568 29.6629 178.7182 86 M 4.1211 8.4328 117.1826 58.2684 31.3448 178.6011 87 L 4.1350 8.5355 120.5759 57.6015 41.7521 179.4063 88 R 3.8859 8.5107 119.1476 59.4372 30.0709 178.5747 89 S 4.1011 8.1868 113.0548 61.3452 62.4069 175.8059 90 D 4.2375 8.1644 121.6808 57.1490 40.5688 178.4758 91 L 3.9952 8.2549 120.6982 58.2733 42.1606 178.8462 92 A 4.0178 8.2185 120.7837 55.1421 18.2454 179.4146 93 L 3.9338 7.8993 118.6202 58.2522 42.1130 179.0585 94 E 4.0616 8.3857 118.6344 59.3580 29.5275 179.2110 95 L 4.0336 8.1057 119.0381 58.1153 41.8271 179.4477 96 D 4.5221 8.3279 118.8759 57.1945 40.7167 179.0922 97 G 3.6467 8.3203 106.2782 47.5401 0.0000 175.7595 98 A 4.0563 8.5169 123.5987 54.6399 18.4824 179.4986 99 K 3.8328 7.9823 117.9307 59.9784 32.2671 178.6870 100 N 4.3923 8.0702 116.2824 56.3589 38.3888 177.4072 101 L 3.9836 8.1167 120.3097 57.8424 41.6360 179.7572 102 R 3.8934 8.2275 118.1844 59.1332 30.0408 178.7619 103 E 3.8409 8.0673 118.4707 59.2932 29.6144 178.7662 104 A 2.8498 7.8630 120.8769 54.7178 18.3817 179.6186 105 I 3.7074 7.9225 118.6203 64.4808 36.9508 178.8695 106 G 3.6019 7.5987 105.1697 47.9195 0.0000 174.8614 107 Y 4.1784 7.9580 122.5673 59.6803 38.8788 177.3635 108 A 3.8262 8.2339 122.0841 55.2449 18.4311 179.0251 109 D 4.1069 7.9172 116.4725 57.4364 41.3751 178.4911 110 S 4.1662 7.7415 113.9149 60.0396 62.9907 175.6575 111 V 4.0666 6.8179 113.9211 60.7114 31.6395 175.5963 112 H 2.7949 7.0313 114.0378 56.6186 27.1390 176.4471 113 D 4.5437 7.3805 121.0092 53.5675 37.4595 176.3189 114 Y 4.3340 7.3787 121.3089 60.6832 38.4037 178.3858 115 V 3.7198 7.8740 119.9768 64.7592 31.8207 178.3014 116 S 4.1623 8.3576 115.8889 61.4638 62.6013 176.7376 117 R 3.8972 8.1364 121.1545 59.4653 29.9761 178.1132 118 D 4.3003 8.3134 117.9851 57.5242 41.3352 177.7152 119 M 3.9934 8.3371 119.0221 59.1157 32.1533 178.1803 120 M 4.1578 8.2218 118.7578 58.3512 32.0936 178.8419 121 I 3.7304 8.1551 120.4672 64.2420 37.3426 178.1935 122 E 3.9585 8.0793 119.1753 59.5985 29.2577 179.5778 123 I 3.5710 7.5529 119.5671 64.0941 37.0946 178.1689 124 L 3.9335 8.1126 121.3900 58.1299 41.9681 178.9801 125 R 3.8963 8.0130 118.5901 59.6662 30.1094 178.2505 126 D 4.3617 8.0205 118.3273 57.3565 40.7647 178.6995 127 E 3.9536 8.3051 119.3317 59.3363 29.4741 178.9127 128 E 4.1894 8.7852 120.0028 59.1452 29.6145 179.1431 129 G 3.6537 7.9923 105.7161 48.1029 0.0000 175.4519 130 H 4.5701 8.1007 118.5436 58.6521 28.6641 177.7922 131 I 3.7953 8.3694 122.0749 64.5757 36.9766 177.7342 132 D 4.3611 8.2987 118.6547 57.3794 41.0325 178.0527 133 F 4.1872 8.3260 120.8962 61.3829 39.3815 176.9828 134 L 3.7416 8.2319 118.4227 57.8517 41.5014 179.2955 135 E 3.9132 8.3632 118.5623 59.7501 29.3308 179.6391 136 T 3.8059 7.9452 115.5128 66.6442 68.5432 176.3523 137 E 3.8665 7.7539 120.2718 59.5579 29.1895 179.5117 138 L 3.7946 7.8732 118.8557 57.9288 41.5561 179.4481 139 D 4.3859 8.1571 118.7670 57.1841 40.6419 178.7204 140 L 3.9720 8.0850 119.7594 57.8216 41.7058 179.4232 141 I 3.3990 7.4834 119.6754 64.5861 36.7519 178.5137 142 Q 3.9805 7.3739 116.1671 58.7631 28.6527 178.4867 143 K 4.1473 8.2211 119.2151 58.8632 32.2641 178.4154 144 M 4.4054 8.3205 114.5946 53.9123 32.5504 177.1230 145 G 4.1209 7.5622 105.7257 46.0207 0.0000 174.4175 146 L 3.9753 8.4320 121.7059 58.0341 42.1681 179.3479 147 Q 3.9920 8.0789 117.4325 59.3317 28.8444 178.6863 148 N 4.3780 8.1462 116.7831 56.3198 38.3751 176.7285 149 Y 3.9896 7.9743 120.2077 60.6009 39.1425 177.8018 150 L 4.0584 8.4491 120.3238 57.9398 41.6509 179.2323 151 Q 3.8886 8.1258 119.1679 59.0843 28.7230 177.7911 152 A 4.1307 7.4860 119.0562 53.4852 18.7290 178.2783 153 Q 4.2155 7.8274 116.0731 55.8608 29.0894 177.7298 154 I 3.9121 7.2186 120.9734 63.1205 37.4019 176.6008 155 R 4.6270 7.5193 117.4753 53.9159 31.9366 175.9340 156 E 4.1137 8.4058 119.1178 56.0118 30.4712 175.8121 157 E 4.0998 8.4991 121.8623 55.2619 30.4973 176.5266 *158 G 3.7273 8.5985 114.1391 45.8880 0.0000 172.1785 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 4.14 0.00 1.48 1.79 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 2 K 8.44 3.97 0.00 1.84 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.75 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 4 D 8.50 4.58 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.80 3.88 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 1.18 0.00 0.00 6 K 8.17 3.85 0.00 1.71 1.93 0.00 1.44 0.00 0.00 1.08 0.00 0.00 2.50 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.72 1.00 7.81 7 V 8.64 3.90 2.37 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 1.03 0.00 0.00 1.21 0.00 0.00 8 I 7.70 3.75 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 1.55 0.53 0.91 0.00 0.00 9 N 8.23 4.27 0.00 2.58 2.67 0.00 0.00 7.07 6.95 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 10 Y 7.98 4.10 0.00 3.23 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 11 L 8.54 3.92 0.00 2.00 1.77 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.55 4.35 0.00 2.76 2.82 0.00 0.00 6.67 7.91 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 13 K 8.17 3.89 0.00 1.74 2.00 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.20 3.79 0.00 0.93 1.16 0.94 0.50 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 15 L 7.75 4.01 0.00 1.70 1.85 1.02 1.04 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 16 G 8.20 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 0.00 0.00 0.00 17 N 8.03 4.39 0.00 2.97 2.91 0.00 0.00 7.04 7.68 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 18 E 8.26 4.10 0.00 2.26 2.14 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 2.76 2.89 0.00 19 L 8.30 4.05 0.00 1.82 1.72 0.95 0.92 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 20 V 7.75 3.56 2.21 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 1.09 0.00 0.00 0.98 0.00 0.00 21 A 8.09 3.82 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 3.75 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 0.90 0.00 0.00 23 N 7.92 4.39 0.00 2.83 2.86 0.00 0.00 6.76 7.65 0.00 0.00 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 Q 8.26 3.85 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 25 Y 8.42 4.36 0.00 3.20 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 26 F 8.54 3.83 0.00 3.41 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 27 L 8.15 3.94 0.00 1.96 1.59 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.16 3.79 0.00 3.50 3.27 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.32 4.14 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 30 R 7.79 3.85 0.00 1.75 1.89 0.00 3.30 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.76 0.00 31 M 7.87 3.43 0.00 0.86 1.52 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 32 F 7.48 4.57 0.00 3.30 3.21 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 0.00 33 K 8.24 3.90 0.00 2.07 1.93 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 7.88 4.28 0.00 2.68 2.67 0.00 0.00 7.34 7.56 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 35 W 7.93 4.74 0.00 3.72 3.19 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 36 G 8.34 3.98 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 0.00 0.00 0.00 37 L 8.05 4.67 0.00 2.17 1.65 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.83 0.00 2.02 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.29 3.93 0.00 2.08 1.96 0.00 3.48 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 40 L 7.86 4.09 0.00 1.66 1.04 0.98 0.12 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 41 N 8.15 4.53 0.00 3.09 3.01 0.00 0.00 7.24 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.00 4.33 0.00 2.89 2.75 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 43 V 7.67 3.45 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 -0.14 0.00 0.00 0.86 0.00 0.00 44 E 8.49 3.89 0.00 2.27 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 0.00 2.65 3.09 0.00 45 Y 8.21 3.85 0.00 2.94 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 46 H 8.32 4.20 0.00 3.28 3.26 0.00 5.66 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 47 E 7.77 3.70 0.00 1.21 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 1.76 1.90 0.00 48 S 7.85 4.12 0.00 4.02 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 49 I 7.33 3.58 1.72 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.46 0.85 0.00 0.00 50 D 7.67 4.26 0.00 2.76 2.69 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 51 E 8.20 4.20 0.00 2.20 2.21 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 2.74 2.82 0.00 52 M 8.04 4.07 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 53 K 8.19 3.93 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.65 7.81 54 H 8.14 4.09 0.00 3.53 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.46 4.23 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.30 4.30 0.00 2.90 2.86 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 57 R 7.91 3.87 0.00 1.83 1.78 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 58 Y 7.87 4.28 0.00 3.23 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 59 I 8.25 3.80 2.06 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 1.58 0.74 0.95 0.00 0.00 60 E 8.52 4.08 0.00 2.03 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 2.50 0.00 61 R 8.04 4.03 0.00 2.14 2.22 0.00 3.36 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 1.75 1.86 0.00 62 I 8.40 3.77 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 0.95 0.00 0.00 63 L 8.06 4.03 0.00 2.11 1.80 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.14 4.37 0.00 2.99 3.36 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 0.00 65 L 8.23 4.39 0.00 1.69 1.62 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.92 0.00 2.07 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 2.15 2.26 0.00 67 G 8.16 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 68 L 8.02 4.53 0.00 1.60 1.62 0.92 0.98 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 69 P 0.00 4.40 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.43 4.73 0.00 2.58 2.79 0.00 0.00 7.07 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 71 L 8.35 4.64 0.00 1.63 1.64 0.94 0.97 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 72 Q 8.53 4.13 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.06 4.65 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.31 4.57 0.00 1.52 1.51 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.43 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.31 4.09 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.11 0.00 1.64 1.55 0.89 0.96 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 78 N 8.86 4.81 0.00 2.61 2.69 0.00 0.00 7.20 7.54 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 79 I 8.49 3.84 1.89 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 1.34 0.92 0.93 0.00 0.00 80 G 8.26 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 81 E 8.58 4.79 0.00 1.99 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 2.26 2.30 0.00 82 D 7.72 5.03 0.00 2.78 2.69 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 83 V 8.53 3.99 2.21 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 1.22 0.00 0.00 1.26 0.00 0.00 84 E 8.25 3.86 0.00 2.04 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 2.34 2.29 0.00 85 E 8.56 4.00 0.00 2.31 2.16 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 2.34 2.35 0.00 86 M 8.43 4.12 0.00 2.30 1.76 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 3.04 0.00 87 L 8.54 4.13 0.00 2.04 1.79 1.23 0.70 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 88 R 8.51 3.89 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.19 4.10 0.00 4.04 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 90 D 8.16 4.24 0.00 3.11 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 91 L 8.25 4.00 0.00 1.80 1.88 0.97 1.02 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 92 A 8.22 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 93 L 7.90 3.93 0.00 1.89 1.79 0.90 0.75 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 94 E 8.39 4.06 0.00 2.26 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 2.60 2.70 0.00 95 L 8.11 4.03 0.00 2.05 1.74 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.33 4.52 0.00 2.85 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 97 G 8.32 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.52 4.06 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 99 K 7.98 3.83 0.00 2.06 2.01 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.07 4.39 0.00 3.00 2.91 0.00 0.00 7.13 6.31 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 0.00 101 L 8.12 3.98 0.00 1.99 1.74 0.98 0.88 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 0.00 102 R 8.23 3.89 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.07 3.84 0.00 2.22 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 2.36 2.37 0.00 104 A 7.86 2.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.92 3.71 1.98 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 1.46 1.04 0.91 0.00 0.00 106 G 7.60 3.60 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 0.00 0.00 0.00 107 Y 7.96 4.18 0.00 3.15 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 0.00 108 A 8.23 3.83 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 0.00 109 D 7.92 4.11 0.00 2.87 2.82 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 0.00 110 S 7.74 4.17 0.00 3.98 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 0.00 111 V 6.82 4.07 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 0.46 0.00 0.00 0.66 0.00 0.00 112 H 7.03 2.79 0.00 3.17 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.38 4.54 0.00 2.63 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 0.00 114 Y 7.38 4.33 0.00 3.11 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 0.00 115 V 7.87 3.72 2.14 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 1.02 0.00 0.00 0.98 0.00 0.00 116 S 8.36 4.16 0.00 4.21 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 0.00 117 R 8.14 3.90 0.00 1.91 2.21 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.31 4.30 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 0.00 119 M 8.34 3.99 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 120 M 8.22 4.16 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.81 0.00 121 I 8.16 3.73 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.91 0.00 0.00 122 E 8.08 3.96 0.00 2.29 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 2.32 2.35 0.00 123 I 7.55 3.57 1.91 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.48 0.73 0.00 0.00 124 L 8.11 3.93 0.00 1.86 1.86 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.01 3.90 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 8.02 4.36 0.00 2.99 2.69 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 0.00 127 E 8.31 3.95 0.00 2.14 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 2.61 2.51 0.00 128 E 8.79 4.19 0.00 2.24 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 2.33 2.36 0.00 129 G 7.99 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.10 4.57 0.00 3.54 3.59 0.00 5.66 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 0.00 131 I 8.37 3.80 2.10 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 1.49 0.86 0.96 0.00 0.00 132 D 8.30 4.36 0.00 2.96 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 0.00 133 F 8.33 4.19 0.00 3.27 3.34 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 0.00 134 L 8.23 3.74 0.00 1.94 1.73 1.29 1.13 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 0.00 135 E 8.36 3.91 0.00 2.13 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 2.50 0.00 136 T 7.95 3.81 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 1.20 0.00 0.00 137 E 7.75 3.87 0.00 1.78 1.84 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 1.47 1.74 0.00 138 L 7.87 3.79 0.00 1.72 1.63 0.90 1.13 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 0.00 139 D 8.16 4.39 0.00 2.78 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 0.00 140 L 8.09 3.97 0.00 1.89 1.86 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.48 3.40 1.73 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 -0.06 0.08 0.73 0.00 0.00 142 Q 7.37 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 143 K 8.22 4.15 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 144 M 8.32 4.41 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 145 G 7.56 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 0.00 146 L 8.43 3.98 0.00 1.75 1.67 0.95 0.71 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 0.00 147 Q 8.08 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.15 4.38 0.00 2.98 2.89 0.00 0.00 6.68 7.48 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 0.00 149 Y 7.97 3.99 0.00 3.04 3.19 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 0.00 150 L 8.45 4.06 0.00 2.02 1.69 1.05 0.92 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 0.00 151 Q 8.13 3.89 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 152 A 7.49 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 0.00 153 Q 7.83 4.22 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.75 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 154 I 7.22 3.91 1.96 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 1.31 0.85 0.90 0.00 0.00 155 R 7.52 4.63 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 156 E 8.41 4.11 0.00 2.06 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 2.26 2.28 0.00 157 E 8.50 4.10 0.00 1.94 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 2.25 2.29 0.00 *158 G 8.60 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 * Residues marked with a * may have inaccurate shift predictions.