NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2046 8.1633 120.2858 54.6886 33.1639 174.2071 2 K 4.0203 8.4997 126.3372 56.1992 32.4638 175.7551 3 G 3.9427 8.6824 113.6946 44.8405 0.0000 171.9845 4 D 4.5516 8.4811 119.6479 54.4298 41.9397 176.9713 5 T 3.8689 8.9198 122.9676 66.9121 68.5975 176.6136 6 K 3.8604 8.1774 120.8246 59.0938 32.2317 178.8920 7 V 3.9107 8.5607 118.9403 66.1479 31.4289 177.8978 8 I 3.7472 7.7210 119.2986 64.6496 36.9036 178.1012 9 N 4.2470 8.2323 117.0676 56.4253 38.3318 177.0214 10 Y 4.0982 7.9430 117.9836 61.2003 38.0449 178.6722 11 L 3.9246 8.5777 120.1037 57.9822 41.6340 179.4784 12 N 4.3670 8.4970 116.7361 55.9845 38.4279 177.4594 13 K 3.8685 8.2885 121.5408 59.4013 32.3194 178.9370 14 L 3.8304 8.1829 119.6679 57.6103 41.3803 179.0168 15 L 4.0222 7.8744 120.7495 58.1572 41.9510 179.2594 16 G 3.6133 8.1402 105.6564 47.9000 0.0000 175.2990 17 N 4.3498 8.0093 119.1000 56.1137 38.5985 177.3587 18 E 4.0779 8.2838 119.8337 59.3942 29.4338 179.2345 19 L 3.9881 8.2097 119.2682 57.8643 41.6275 179.8128 20 V 3.5891 7.7513 117.4678 66.0796 31.5425 177.8980 21 A 3.8692 8.1929 120.5248 55.0495 18.1580 179.4196 22 I 3.7509 8.4265 118.6441 64.8954 37.1923 178.4278 23 N 4.3801 7.9025 116.9848 56.4106 38.3918 177.4140 24 Q 3.8362 8.3098 121.2093 59.3477 29.0395 177.9153 25 Y 4.3456 8.5096 118.2849 60.9251 37.9042 178.0430 26 F 3.8251 8.5825 121.7148 61.0656 39.4975 176.7639 27 L 3.9656 8.2837 120.1134 58.6204 41.8266 178.4802 28 H 3.8468 8.2469 115.7645 58.7932 28.6560 177.2293 29 A 4.1738 8.2645 122.7485 55.7423 18.1164 179.9407 30 R 3.9139 7.8224 115.5365 58.7169 30.1380 179.2913 31 M 3.5989 7.8280 119.2732 58.2203 31.8722 178.3782 32 F 4.5718 7.7174 118.2520 60.6946 39.1279 177.7009 33 K 3.9407 8.1371 119.0089 59.5276 31.7931 178.2718 34 N 4.2926 8.0279 116.1959 56.8305 38.9947 176.6235 35 F 4.7614 8.2024 117.9877 59.0315 38.9665 176.4800 36 G 3.9836 8.0869 106.2774 45.8982 0.0000 175.2619 37 L 4.4808 8.0630 122.2052 52.6241 38.2619 176.9014 38 K 3.8250 7.9433 123.0051 59.8821 32.6133 177.5590 39 R 3.9356 8.2839 118.9515 59.2641 29.9541 178.4580 40 L 4.1138 7.9211 118.9169 57.3153 41.4430 178.8525 41 N 4.5674 8.1726 116.8090 56.7605 38.9958 176.4857 42 D 4.3093 8.0907 120.2381 57.3864 41.1036 178.9836 43 V 3.3585 7.6081 118.3978 66.0801 31.4147 177.9696 44 E 3.8354 8.3626 118.4214 59.2259 29.2972 178.5758 45 Y 3.8239 8.2181 119.9137 61.1486 38.5839 178.0509 46 H 4.2004 8.3248 115.9848 57.8548 28.7114 177.1918 47 E 3.7495 7.5089 120.3284 58.1733 29.5163 178.3450 48 S 4.0801 7.8297 113.5929 61.5533 62.4343 176.2343 49 I 3.5531 7.3284 122.2710 64.3804 36.7950 177.8220 50 D 4.1986 7.4764 118.2948 57.5197 40.9935 178.3083 51 E 4.0815 8.1211 118.8301 59.2941 29.3134 179.2602 52 M 4.0621 8.0025 119.0966 58.3390 32.0462 178.6985 53 K 3.8924 8.0755 118.5754 59.8005 32.1990 179.1108 54 H 4.1037 8.0366 116.0306 58.7506 28.6170 177.4748 55 A 4.2368 8.3786 122.9574 55.4593 18.2020 179.0100 56 D 4.3110 8.4002 116.6226 57.7535 41.2572 178.8110 57 R 3.8873 7.8935 118.3538 59.3932 30.0185 178.6632 58 Y 4.3207 7.8884 116.4777 61.2630 37.9074 178.7036 59 I 3.8174 8.3031 121.0997 64.5747 37.1641 178.4307 60 E 4.0723 8.4504 119.4746 59.1755 29.2304 179.4212 61 R 4.0371 8.1724 118.9013 59.5037 30.1689 178.5207 62 I 3.7737 8.4685 119.9504 64.5480 37.1535 178.4226 63 L 4.0381 8.0668 119.7263 57.6884 41.2096 179.3578 64 F 4.4120 8.1913 119.7396 61.3050 39.7310 176.5144 65 L 4.5550 8.2081 117.7807 53.9932 41.1415 177.2797 66 E 3.8247 7.9752 117.5974 57.3315 27.0548 174.5911 67 G 3.9183 8.1346 108.8812 44.1665 0.0000 173.8024 68 L 4.5195 8.0029 119.1473 51.9929 41.8804 175.0702 69 P 4.3673 0.0000 0.0000 62.5897 31.7537 176.0419 70 N 4.7223 9.4329 122.2079 52.4068 38.7737 173.8327 71 L 4.6317 8.3314 124.1495 54.5564 42.4400 177.4740 72 Q 4.1445 8.5491 122.1368 58.1258 29.3889 175.9548 73 D 4.6726 8.0398 116.8433 52.9541 41.9206 175.2726 74 L 4.5971 8.2815 125.2489 52.8032 44.1864 176.5995 75 G 3.8178 8.4365 115.3399 44.6085 0.0000 171.8950 76 K 4.0902 8.3182 120.7639 55.8133 32.4252 176.6737 77 L 4.1174 8.3616 126.7960 54.3826 42.3150 176.0120 78 N 4.8326 8.8856 121.1156 52.1104 40.3272 174.0336 79 I 3.9302 8.5845 126.6482 63.7315 37.9063 177.9303 80 G 4.1706 8.1147 102.8365 45.7803 0.0000 172.5157 81 E 4.5913 8.6826 117.2115 56.2671 31.9406 176.8166 82 D 5.0938 7.6773 117.1156 50.8966 43.4140 176.7810 83 V 3.9599 8.4509 119.3539 66.6702 31.3026 177.5503 84 E 3.8368 8.2117 117.9094 59.5068 29.5057 178.2045 85 E 3.9708 8.3913 119.2666 59.5572 29.6117 178.7277 86 M 4.0787 8.2778 117.0983 58.2443 31.3952 178.5747 87 L 4.1486 8.4796 120.5709 57.6407 41.7485 179.4875 88 R 3.9070 8.4523 119.1046 59.3468 30.0878 178.5577 89 S 4.0905 8.2104 113.1416 61.3693 62.4015 175.8179 90 D 4.2175 8.1629 121.6758 57.1376 40.5051 178.4888 91 L 3.9839 8.1964 120.5782 58.2908 42.1855 178.7891 92 A 3.9875 8.2130 120.7978 55.2447 18.2500 179.4043 93 L 3.9412 7.8873 118.5378 58.1274 42.0576 178.8338 94 E 4.0558 8.3046 119.4766 59.1433 29.7494 178.6799 95 L 4.0240 8.2123 119.2625 58.0447 41.8280 179.3139 96 D 4.5290 8.3708 118.9462 57.1675 40.7122 179.1041 97 G 3.6349 8.3434 106.2843 47.6554 0.0000 175.7065 98 A 4.0760 8.4283 123.5450 54.5968 18.4588 179.5776 99 K 3.8522 7.9658 117.7856 59.9727 32.2588 178.8440 100 N 4.4339 8.0815 116.2043 56.1584 38.3014 177.4819 101 L 3.9783 8.0249 120.4801 57.8762 41.6329 179.6554 102 R 3.8949 8.1887 118.1495 59.2169 29.9239 178.7964 103 E 3.8536 8.0986 118.4820 59.2523 29.6106 178.7256 104 A 2.8335 7.9118 120.9633 54.7617 18.3842 179.6447 105 I 3.7114 8.0335 118.7989 64.4755 36.9478 178.9125 106 G 3.5913 7.5984 105.3531 47.8363 0.0000 174.9160 107 Y 4.1020 7.7723 121.3652 60.3173 38.9082 177.3354 108 A 3.8063 8.1981 122.0746 55.2761 18.3823 179.0136 109 D 4.0769 7.8930 116.4242 57.4836 41.1132 178.5831 110 S 4.1608 7.5008 112.8336 60.1610 63.2512 175.6784 111 V 4.0108 6.8594 113.7948 60.7431 31.6357 175.6416 112 H 2.8043 7.1337 114.2959 56.6023 27.0280 176.4698 113 D 4.5518 7.3609 121.1725 53.5809 37.5899 176.2398 114 Y 4.3200 7.4817 121.4665 60.6011 38.4125 178.1796 115 V 3.7213 7.8890 119.9783 64.7504 31.7417 178.3582 116 S 4.1601 8.3400 115.7116 61.4249 62.6254 176.6882 117 R 3.8809 8.0248 121.2394 59.3962 29.9373 178.0258 118 D 4.3040 8.3887 118.0066 57.5826 41.3147 177.6741 119 M 3.9619 8.2269 118.8060 59.2265 32.1111 178.1732 120 M 4.1558 8.2403 118.6811 58.3836 32.0799 178.8617 121 I 3.7275 8.2583 120.5842 64.2314 37.2451 178.2867 122 E 3.9597 8.1202 119.3392 59.4877 29.2411 179.4693 123 I 3.5426 7.6107 119.6883 64.0972 37.1025 178.1554 124 L 3.9170 8.1413 121.4220 58.1735 41.9195 178.7736 125 R 3.8892 8.0490 118.5460 59.8355 30.0435 178.1045 126 D 4.3425 8.0998 118.3433 57.4235 40.7094 178.7290 127 E 3.9480 8.3260 119.2488 59.4467 29.3985 179.1859 128 E 4.1286 8.7916 119.2449 59.1515 29.4578 179.5785 129 G 3.7139 8.0032 105.8506 48.2847 0.0000 175.3872 130 H 4.4388 8.0889 118.8855 58.5282 28.6845 177.8206 131 I 3.8103 8.2630 121.9695 64.5507 37.0279 177.6642 132 D 4.3944 8.4546 118.9677 57.2551 41.0148 178.2458 133 W 4.1378 8.3859 128.4727 60.5018 30.8194 177.7343 134 L 3.7593 8.5411 119.1764 57.9078 41.1530 179.3881 135 E 3.9278 8.5062 118.6524 59.7230 29.3267 179.5587 136 T 3.7871 7.8339 115.5359 66.6649 68.5227 176.4088 137 E 3.7588 7.6670 120.2610 59.4581 29.1944 179.5444 138 L 3.7803 7.7126 118.7843 57.7599 41.5530 179.3945 139 D 4.2919 8.1222 118.9352 57.1286 40.6756 178.6155 140 L 3.9855 8.0701 119.8250 57.8915 41.7074 179.5288 141 I 3.4620 7.4865 119.5602 64.4804 36.7455 178.5626 142 Q 3.9387 7.4073 117.3797 58.8813 28.6336 178.6325 143 K 4.1383 8.2867 119.0860 58.9971 32.2972 178.5352 144 M 4.3530 8.4261 114.9048 54.0940 32.4522 177.2041 145 G 4.1092 7.5625 105.7408 45.9670 0.0000 174.3231 146 L 3.9563 8.4705 121.7622 58.0858 42.1425 179.3924 147 Q 3.9998 8.0742 117.3457 59.3328 28.8370 178.6761 148 N 4.3791 8.1473 116.7934 56.2552 38.3670 176.7103 149 Y 3.9780 7.9828 120.2276 60.6036 39.1532 177.8092 150 L 4.0740 8.4031 120.2319 58.0623 41.7181 179.1655 151 Q 3.9271 8.1218 119.0332 59.2923 28.6724 177.9927 152 A 4.1792 7.5760 119.0351 53.3689 18.6991 178.1986 153 Q 4.3298 7.8731 116.2216 55.3600 29.1855 177.5712 154 I 3.8361 7.3584 121.7618 63.9822 37.3688 176.6745 155 R 4.5960 7.5233 117.2336 54.1010 31.8150 176.0230 156 E 4.1418 8.3648 118.6666 55.9359 30.5371 175.8493 157 E 4.0819 8.5160 121.9766 55.3424 30.4461 176.5693 *158 G 3.7283 8.6049 114.1727 45.8874 0.0000 172.1616 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 4.20 0.00 1.45 1.77 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 2 K 8.50 4.02 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.47 7.81 3 G 8.68 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 4 D 8.48 4.55 0.00 2.77 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 5 T 8.92 3.87 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 8.18 3.86 0.00 1.72 1.90 0.00 1.41 0.00 0.00 0.93 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.85 1.05 7.81 7 V 8.56 3.91 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 0.97 0.00 0.00 1.18 0.00 0.00 8 I 7.72 3.75 2.05 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 0.69 0.92 0.00 0.00 9 N 8.23 4.25 0.00 2.59 2.67 0.00 0.00 7.07 6.99 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 10 Y 7.94 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 8.58 3.92 0.00 2.00 1.77 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.50 4.37 0.00 2.88 2.81 0.00 0.00 6.65 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 13 K 8.29 3.87 0.00 1.77 1.96 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 L 8.18 3.83 0.00 0.89 1.20 0.95 0.54 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 7.87 4.02 0.00 1.67 1.83 1.03 1.13 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 16 G 8.14 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 17 N 8.01 4.35 0.00 2.98 2.92 0.00 0.00 7.08 7.83 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 18 E 8.28 4.08 0.00 2.26 2.29 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 2.78 2.90 0.00 19 L 8.21 3.99 0.00 1.93 1.74 0.95 1.16 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 20 V 7.75 3.59 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 1.11 0.00 0.00 0.97 0.00 0.00 21 A 8.19 3.87 1.51 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 22 I 8.43 3.75 2.11 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 1.56 0.79 0.91 0.00 0.00 23 N 7.90 4.38 0.00 2.86 2.86 0.00 0.00 6.75 7.98 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 24 Q 8.31 3.84 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 25 Y 8.51 4.35 0.00 3.21 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 26 F 8.58 3.83 0.00 3.41 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.28 3.97 0.00 1.96 1.60 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.25 3.85 0.00 3.52 3.18 0.00 5.72 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 8.26 4.17 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 30 R 7.82 3.91 0.00 1.80 1.93 0.00 3.32 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.81 0.00 31 M 7.83 3.60 0.00 1.37 1.73 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 32 F 7.72 4.57 0.00 3.32 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 33 K 8.14 3.94 0.00 2.08 1.94 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 N 8.03 4.29 0.00 2.73 2.77 0.00 0.00 7.32 7.84 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 35 F 8.20 4.76 0.00 3.32 3.05 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 36 G 8.09 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 8.06 4.48 0.00 2.12 1.63 1.05 0.73 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 38 K 7.94 3.83 0.00 2.03 1.83 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.28 3.94 0.00 2.10 1.99 0.00 3.49 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.92 4.11 0.00 1.68 1.01 1.09 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.17 4.57 0.00 3.10 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 8.09 4.31 0.00 2.88 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 43 V 7.61 3.36 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 -0.60 0.00 0.00 0.75 0.00 0.00 44 E 8.36 3.84 0.00 2.31 2.19 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 2.60 3.15 0.00 45 Y 8.22 3.82 0.00 2.92 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 46 H 8.32 4.20 0.00 3.23 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.51 3.75 0.00 1.53 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 1.47 1.85 0.00 48 S 7.83 4.08 0.00 3.90 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 49 I 7.33 3.55 1.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.58 0.84 0.00 0.00 50 D 7.48 4.20 0.00 2.88 2.61 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 51 E 8.12 4.08 0.00 2.25 2.19 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 2.68 2.82 0.00 52 M 8.00 4.06 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 53 K 8.08 3.89 0.00 1.89 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.04 4.10 0.00 3.55 3.34 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 8.38 4.24 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 8.40 4.31 0.00 2.88 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 7.89 3.89 0.00 1.81 1.78 0.00 3.14 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 1.76 0.00 58 Y 7.89 4.32 0.00 3.23 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 59 I 8.30 3.82 2.05 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 0.82 0.95 0.00 0.00 60 E 8.45 4.07 0.00 2.04 2.01 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 2.35 2.62 0.00 61 R 8.17 4.04 0.00 2.14 2.22 0.00 3.35 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 1.76 1.87 0.00 62 I 8.47 3.77 1.94 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 0.98 0.00 0.00 63 L 8.07 4.04 0.00 2.11 1.80 0.95 1.03 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 8.19 4.41 0.00 3.00 3.33 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 65 L 8.21 4.56 0.00 1.69 1.61 0.99 0.55 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 66 E 7.98 3.82 0.00 2.08 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 2.17 2.28 0.00 67 G 8.13 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 0.00 0.00 0.00 68 L 8.00 4.52 0.00 1.60 1.63 0.92 0.99 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 69 P 0.00 4.37 0.00 2.06 2.03 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 2.12 0.00 70 N 9.43 4.72 0.00 2.59 2.80 0.00 0.00 7.08 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 71 L 8.33 4.63 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 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.55 4.14 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.04 4.67 0.00 2.68 2.56 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 74 L 8.28 4.60 0.00 1.52 1.50 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.44 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 0.00 0.00 0.00 76 K 8.32 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 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.36 4.12 0.00 1.64 1.55 0.90 0.97 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 78 N 8.89 4.83 0.00 2.62 2.68 0.00 0.00 7.18 7.29 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 79 I 8.58 3.93 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.93 0.00 0.00 80 G 8.11 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 81 E 8.68 4.59 0.00 1.98 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 0.00 2.25 2.29 0.00 82 D 7.68 5.09 0.00 2.84 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 83 V 8.45 3.96 2.19 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 1.24 0.00 0.00 1.23 0.00 0.00 84 E 8.21 3.84 0.00 2.01 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 2.32 2.26 0.00 85 E 8.39 3.97 0.00 2.29 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 2.33 2.34 0.00 86 M 8.28 4.08 0.00 2.22 1.77 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.91 0.00 87 L 8.48 4.15 0.00 2.02 1.77 1.28 0.61 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 88 R 8.45 3.91 0.00 2.11 1.93 0.00 3.09 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 S 8.21 4.09 0.00 4.06 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 4.22 0.00 3.12 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 91 L 8.20 3.98 0.00 1.82 1.89 0.98 0.86 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 8.21 3.99 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 7.89 3.94 0.00 1.86 1.81 0.90 0.56 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 8.30 4.06 0.00 2.47 2.19 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 2.50 2.53 0.00 95 L 8.21 4.02 0.00 2.08 1.73 0.96 1.13 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 96 D 8.37 4.53 0.00 2.85 2.73 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 97 G 8.34 3.63 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 0.00 0.00 0.00 98 A 8.43 4.08 1.36 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 0.00 0.00 99 K 7.97 3.85 0.00 2.05 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.08 4.43 0.00 2.88 2.91 0.00 0.00 7.11 6.02 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 0.00 101 L 8.02 3.98 0.00 2.02 1.74 0.98 0.95 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 8.19 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 8.10 3.85 0.00 2.18 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 0.00 2.35 2.37 0.00 104 A 7.91 2.83 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.03 3.71 1.89 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 1.00 0.91 0.00 0.00 106 G 7.60 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.10 0.00 3.09 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 0.00 108 A 8.20 3.81 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.89 4.08 0.00 2.86 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 0.00 110 S 7.50 4.16 0.00 3.97 3.88 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 0.00 0.00 0.00 111 V 6.86 4.01 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 0.55 0.00 0.00 0.62 0.00 0.00 112 H 7.13 2.80 0.00 3.15 3.32 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 7.36 4.55 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 0.00 114 Y 7.48 4.32 0.00 3.09 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 0.00 115 V 7.89 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 0.91 0.00 0.00 0.98 0.00 0.00 116 S 8.34 4.16 0.00 4.20 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 8.02 3.88 0.00 1.91 2.21 0.00 3.32 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 1.68 1.67 0.00 118 D 8.39 4.30 0.00 2.99 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 8.23 3.96 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 120 M 8.24 4.16 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.81 0.00 121 I 8.26 3.73 2.00 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 0.84 0.91 0.00 0.00 122 E 8.12 3.96 0.00 2.17 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 2.34 0.00 123 I 7.61 3.54 1.92 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.51 0.73 0.00 0.00 124 L 8.14 3.92 0.00 1.84 1.85 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.05 3.89 0.00 2.00 2.15 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 1.69 0.00 126 D 8.10 4.34 0.00 2.98 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 0.00 127 E 8.33 3.95 0.00 2.13 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 2.61 2.55 0.00 128 E 8.79 4.13 0.00 2.11 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 0.00 2.36 2.36 0.00 129 G 8.00 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 0.00 130 H 8.09 4.44 0.00 3.54 3.56 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 8.26 3.81 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.92 0.97 0.00 0.00 132 D 8.45 4.39 0.00 2.91 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 0.00 133 W 8.39 4.14 0.00 3.55 3.49 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 0.00 0.00 0.00 0.00 134 L 8.54 3.76 0.00 2.11 1.76 1.37 1.48 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 0.00 135 E 8.51 3.93 0.00 2.12 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 2.52 0.00 136 T 7.83 3.79 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 1.16 0.00 0.00 137 E 7.67 3.76 0.00 1.57 1.66 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 1.47 1.47 0.00 138 L 7.71 3.78 0.00 1.73 1.61 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.12 4.29 0.00 2.76 2.66 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 0.00 140 L 8.07 3.99 0.00 1.89 1.85 0.95 1.10 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 0.00 141 I 7.49 3.46 1.71 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 -0.05 0.02 0.71 0.00 0.00 142 Q 7.41 3.94 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 8.29 4.14 0.00 1.68 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.61 7.81 144 M 8.43 4.35 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 145 G 7.56 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 0.00 146 L 8.47 3.96 0.00 1.75 1.68 0.95 0.73 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 8.07 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 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 2.97 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 7.98 3.98 0.00 3.00 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 0.00 150 L 8.40 4.07 0.00 2.04 1.70 1.06 0.77 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 0.00 151 Q 8.12 3.93 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 152 A 7.58 4.18 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 0.00 0.00 0.00 0.00 0.00 153 Q 7.87 4.33 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.76 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 154 I 7.36 3.84 1.97 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 1.30 0.45 0.90 0.00 0.00 155 R 7.52 4.60 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 156 E 8.36 4.14 0.00 2.08 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 2.26 2.28 0.00 157 E 8.52 4.08 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 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.