NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1811 8.1627 120.2782 54.6918 33.2506 173.9850 2 K 3.9535 8.5293 128.2169 56.3018 32.7075 175.0674 3 G 4.0079 8.6362 116.2400 44.9133 0.0000 171.3209 4 D 4.6874 8.4322 119.2132 53.9905 42.0912 177.2702 5 T 3.8559 8.9023 123.0114 66.9498 68.5623 176.5724 6 K 3.8133 8.1431 120.7507 59.0455 32.1968 178.8639 7 V 3.8644 8.5358 118.9269 66.2613 31.4705 177.9205 8 I 3.7808 7.7338 119.3332 64.5543 36.9288 178.1161 9 N 4.2430 8.2897 117.1613 56.4564 38.3639 177.0106 10 Y 4.0964 7.9854 117.9533 61.1417 38.0503 178.4419 11 L 3.8429 8.5675 120.1306 58.1939 41.7002 179.5744 12 N 4.3527 8.5125 116.5003 55.9956 38.4419 177.4843 13 K 3.8656 7.9882 121.0709 59.3915 32.3288 178.8685 14 L 3.8152 8.2842 119.5611 57.6649 41.4850 179.0239 15 L 4.0191 7.8419 120.6761 58.2687 41.8500 179.3090 16 G 3.6164 8.1550 105.5971 47.8849 0.0000 175.4099 17 N 4.3797 8.0221 118.9166 56.0578 38.5193 177.2795 18 E 4.1071 8.3057 120.2289 59.3087 29.1587 179.0328 19 L 4.3303 8.0643 118.6973 57.2537 40.8099 179.4109 20 V 3.6065 7.6966 120.5601 64.7944 31.4450 177.9945 21 A 3.9054 8.0557 121.7043 54.8972 18.2273 179.3956 22 I 3.7598 8.2098 118.6078 64.9618 37.1782 178.4532 23 N 4.4254 7.8979 116.1572 56.2686 38.3172 177.4494 24 Q 3.8342 8.3297 121.1987 59.3757 29.0820 177.8160 25 Y 4.2874 8.5210 118.2595 60.9515 38.0055 178.2853 26 F 3.9055 8.4962 121.7488 61.0200 39.5980 176.9037 27 L 3.9440 8.2657 120.0829 58.5841 41.8891 178.3465 28 H 3.7907 8.2897 116.0972 58.9294 28.6867 177.3101 29 A 4.1595 8.1168 122.2849 55.4799 18.2589 179.6572 30 R 3.9476 7.5886 114.8225 58.1680 30.2561 179.1792 31 M 3.4331 7.5222 119.2699 58.1281 31.9044 178.3733 32 F 4.6027 7.4077 117.9121 60.6643 39.1397 177.6885 33 K 3.9423 8.1583 119.0652 59.4630 31.7774 178.2348 34 N 4.2793 7.7322 116.0743 56.5730 39.0087 176.3938 35 W 4.7533 7.8352 117.2377 57.4711 29.1914 177.2287 36 G 3.9860 8.3358 108.2072 46.1377 0.0000 174.2673 37 L 4.6695 7.9130 121.8355 52.7471 38.1604 177.0782 38 K 3.8181 7.9670 122.8021 60.0075 32.6065 177.3457 39 R 3.9921 8.3309 118.8167 59.0375 29.9644 178.3888 40 L 4.1257 7.8356 118.6702 57.2782 41.4835 178.8435 41 N 4.5445 8.1630 116.7112 56.8449 39.0385 176.2906 42 D 4.3772 8.0153 120.2920 57.5911 40.9462 179.2674 43 V 3.3515 7.6429 118.2400 65.8518 31.5061 177.7492 44 E 3.8446 8.4026 119.2644 59.1446 29.5368 177.9760 45 Y 3.9822 8.4148 120.1723 61.0870 38.8945 177.7267 46 H 3.9708 8.2523 118.9703 59.2259 29.8632 177.0454 47 E 3.5515 7.7215 120.4657 58.6446 29.1275 178.9020 48 S 4.0516 7.6187 113.4163 61.5288 62.4167 176.3652 49 I 3.5171 7.1654 122.0991 64.3004 36.7915 177.9812 50 D 4.1766 7.6912 119.5779 57.5889 40.6194 178.8589 51 E 4.0046 8.0827 118.7461 59.6522 29.3957 179.4366 52 M 4.0405 7.9511 118.7157 58.3413 32.0441 178.8707 53 K 3.9648 7.9674 118.5769 59.6442 32.1826 179.0477 54 H 4.0795 8.2322 116.1721 58.8059 28.6100 177.4928 55 A 4.2195 8.2371 122.5931 55.4109 18.2506 178.9065 56 D 4.3005 8.5083 116.7907 57.7203 41.2080 178.8336 57 R 3.8590 7.8910 118.1704 59.4755 30.0702 178.5326 58 Y 4.3340 7.6884 116.3156 61.3035 37.9138 178.8614 59 I 3.7688 8.1342 120.7243 64.7043 37.2759 178.4692 60 E 4.0594 8.3803 119.2475 59.0696 29.1511 179.5331 61 R 4.0424 8.0966 118.9626 59.4959 30.1923 178.3479 62 I 3.7650 8.4349 119.9539 64.6365 37.1230 178.4051 63 L 4.0182 8.1664 119.6079 57.7920 41.2243 179.3939 64 F 4.3493 8.1460 119.6601 61.1294 39.6643 176.4206 65 L 4.3352 8.1529 117.9921 53.8534 41.2338 177.0898 66 E 3.8981 8.0591 117.6903 57.4531 27.0263 174.4391 67 G 3.9599 8.1464 108.0179 43.9751 0.0000 173.6658 68 L 4.5217 8.0194 118.9990 52.0328 42.0804 175.2422 69 P 4.4190 0.0000 0.0000 62.4863 31.7735 175.8099 70 N 4.7449 9.6753 122.4277 52.3481 39.0446 173.8815 71 L 4.6523 8.2786 124.2764 54.6538 42.5682 177.9806 72 Q 4.0867 8.5693 119.8496 58.7490 28.8291 176.4456 73 D 4.6567 8.0455 116.5856 53.0148 41.8687 175.4184 74 L 4.6100 8.2649 125.3473 52.6910 44.2391 176.3211 75 G 3.7929 8.4901 114.9505 44.6651 0.0000 172.3193 76 K 4.0164 8.3122 120.6409 56.0079 32.2667 176.2583 77 L 4.0738 8.4161 127.0951 54.3849 42.2189 176.0656 78 N 4.7785 8.7940 122.2514 51.9109 39.5127 173.2170 79 I 4.3502 8.1662 126.5461 59.6048 38.7276 176.6193 80 G 4.0413 8.6137 114.0911 44.9524 0.0000 172.7672 81 E 4.6571 8.7904 116.9335 56.5169 30.9904 176.4986 82 D 4.9687 7.6615 117.5853 50.2547 44.0376 176.0417 83 V 4.0399 8.5526 119.6019 66.7129 31.3985 177.6464 84 E 3.8136 8.1922 117.9101 59.4301 29.5978 177.9658 85 E 3.9997 8.5298 119.4500 59.6432 29.5843 178.8974 86 M 4.0707 8.5311 117.2209 58.3437 31.3948 178.5025 87 L 4.1202 8.5698 120.6885 57.6035 41.8343 179.5405 88 R 3.8968 8.6228 118.8891 59.3582 30.0375 178.5688 89 S 4.1137 8.2211 113.1712 61.3430 62.3187 175.8166 90 D 4.2203 8.1752 121.7162 57.1017 40.4691 178.4276 91 L 3.9867 8.1880 120.6330 58.3397 42.1772 178.9709 92 A 3.9846 7.9808 120.5213 54.9914 18.2182 179.4225 93 L 3.9449 7.8486 118.5677 58.1662 42.0886 178.9427 94 E 4.0605 8.5467 118.9234 59.4844 29.4710 179.2477 95 L 4.0235 8.1902 119.1066 58.0360 41.7787 179.4153 96 D 4.4841 8.3381 118.8382 57.3572 40.7888 179.0682 97 G 3.6815 8.3571 106.0417 47.7268 0.0000 175.6117 98 A 4.0549 8.3377 123.4128 54.6646 18.5209 179.4769 99 K 3.8317 8.0913 118.1867 59.9784 32.2796 178.7046 100 N 4.4080 8.1051 116.3753 56.2592 38.3453 177.4467 101 L 3.9770 8.0821 120.3403 57.8321 41.8109 179.5672 102 R 3.8914 8.1188 118.0782 59.3234 30.1223 178.7605 103 E 3.8688 8.0716 118.2488 59.2782 29.6895 178.7107 104 A 2.8256 7.7878 120.7836 54.7261 18.3026 179.7224 105 I 3.7374 7.9356 118.6778 64.4658 36.9661 178.9135 106 G 3.5942 7.6497 105.0026 47.8015 0.0000 174.9130 107 Y 4.0738 7.8866 121.4139 60.3450 38.8612 177.4489 108 A 3.8222 8.3342 122.2099 55.4724 18.5348 179.1089 109 D 4.0441 7.9302 116.4250 57.2765 41.0794 178.3359 110 S 4.1671 7.4482 113.1534 60.0152 63.3159 175.6957 111 V 3.9143 6.7805 114.1637 60.7330 31.5564 175.5146 112 H 2.9205 6.9028 113.4266 56.7995 26.9997 176.4384 113 D 4.5254 7.3543 121.3517 53.3631 37.7779 176.1770 114 Y 4.2919 7.4003 121.5047 60.5217 38.3732 178.1705 115 V 3.7276 7.8719 119.9565 64.6641 31.7607 178.3239 116 S 4.1599 8.2501 115.5475 61.5282 62.6585 176.6322 117 R 3.8833 8.1272 121.1461 59.4971 29.8704 178.0729 118 D 4.2867 8.3890 118.0328 57.4842 41.2745 177.6155 119 M 3.9637 8.3196 119.0798 59.2554 32.1011 178.2094 120 M 4.1539 8.3153 118.7961 58.3626 32.1020 178.8635 121 I 3.7380 8.1084 120.3769 64.2075 37.3485 178.2974 122 E 3.9611 8.1131 119.2865 59.4805 29.3321 179.4135 123 I 3.5730 7.6385 119.7917 64.2804 37.0614 178.2399 124 L 3.9744 8.1587 121.4885 58.1100 42.0113 178.9541 125 R 3.8991 8.0854 118.7095 59.5320 29.9778 178.2683 126 D 4.3475 7.9392 118.3286 57.2635 40.8045 178.6703 127 E 3.9161 8.1836 119.0995 59.3986 29.4589 178.6563 128 E 4.0952 8.5927 119.9240 59.4437 29.5218 179.2041 129 G 3.6591 7.9218 104.9904 48.2495 0.0000 175.2797 130 H 4.4305 8.1108 119.1519 58.6012 28.6602 177.8803 131 I 3.8139 8.4426 121.8757 64.5654 37.0256 177.7766 132 D 4.3763 8.4196 118.9364 57.1639 40.9318 178.1165 133 W 4.1567 8.5309 128.6266 60.5259 30.7306 177.5354 134 L 3.6835 8.2465 118.8384 58.0888 41.1942 179.4451 135 E 3.9021 8.3969 118.2444 59.8026 29.3188 179.7358 136 T 3.7993 7.8335 115.4793 66.5690 68.5134 176.5209 137 E 3.7811 7.7357 120.4715 59.4196 29.0159 179.4427 138 L 3.7604 7.8115 118.9761 57.9387 41.5791 179.4423 139 D 4.3125 8.1162 118.7307 57.2226 40.6136 178.8218 140 L 3.9773 8.0484 119.9012 57.6977 41.6336 179.4754 141 I 3.3705 7.5067 119.8723 64.3440 36.7195 178.2802 142 Q 3.9204 7.4082 118.7707 58.9184 28.9504 178.0161 143 K 4.1269 8.0497 119.1691 59.1183 32.3092 178.4697 144 M 4.3822 8.3202 114.5442 54.1716 32.3788 177.3423 145 G 4.0708 7.5531 104.9995 45.7814 0.0000 174.4256 146 L 3.9883 8.3406 120.4935 57.9688 42.1035 179.1698 147 Q 3.9985 8.0296 117.5162 59.2427 28.7821 178.5349 148 N 4.3377 8.1356 116.8844 56.3020 38.3944 176.5911 149 Y 3.9889 7.8614 120.0926 60.6892 39.1004 178.0368 150 L 4.0763 8.3359 120.0738 57.9640 41.6695 179.2094 151 Q 3.9140 8.2473 119.2432 59.1314 28.7069 177.8554 152 A 4.1406 7.7136 119.5885 53.4876 18.6439 178.2111 153 Q 4.3319 7.8834 116.1460 55.6078 29.2256 177.5213 154 I 3.9388 7.4217 121.2360 62.5931 37.4402 176.3342 155 R 4.5951 7.5402 119.6846 53.6566 32.2196 174.7640 156 E 4.0549 8.6303 123.4448 56.0144 30.3185 175.9774 157 E 3.9547 8.5980 123.5656 55.7349 30.3866 176.5860 *158 G 3.7296 8.6092 114.1206 45.8912 0.0000 172.2061 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 4.18 0.00 1.45 1.85 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 2.51 2.42 0.00 2 K 8.53 3.95 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.64 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 0.00 0.00 0.00 4 D 8.43 4.69 0.00 2.78 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 5 T 8.90 3.86 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 1.18 0.00 0.00 6 K 8.14 3.81 0.00 1.67 1.73 0.00 1.42 0.00 0.00 1.06 0.00 0.00 2.30 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.84 1.03 7.81 7 V 8.54 3.86 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 1.13 0.00 0.00 1.23 0.00 0.00 8 I 7.73 3.78 2.04 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 1.55 0.66 0.91 0.00 0.00 9 N 8.29 4.24 0.00 2.72 2.58 0.00 0.00 7.02 7.05 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 10 Y 7.99 4.10 0.00 3.31 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 11 L 8.57 3.84 0.00 2.00 1.78 1.11 0.80 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 12 N 8.51 4.35 0.00 2.77 2.81 0.00 0.00 6.70 7.66 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 13 K 7.99 3.87 0.00 1.77 1.95 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 L 8.28 3.82 0.00 1.06 1.17 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.84 4.02 0.00 1.67 1.84 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.16 3.62 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 0.00 0.00 0.00 17 N 8.02 4.38 0.00 2.98 2.92 0.00 0.00 7.05 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 18 E 8.31 4.11 0.00 2.31 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 2.80 2.86 0.00 19 L 8.06 4.33 0.00 1.90 1.94 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.70 3.61 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 0.85 0.00 0.00 0.96 0.00 0.00 21 A 8.06 3.91 1.56 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 22 I 8.21 3.76 2.05 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 1.55 0.86 0.90 0.00 0.00 23 N 7.90 4.43 0.00 2.92 2.87 0.00 0.00 6.72 7.88 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 24 Q 8.33 3.83 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 25 Y 8.52 4.29 0.00 3.24 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 26 F 8.50 3.91 0.00 3.45 3.14 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 0.00 0.00 0.00 27 L 8.27 3.94 0.00 1.94 1.58 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.29 3.79 0.00 3.44 3.23 0.00 5.70 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 8.12 4.16 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 30 R 7.59 3.95 0.00 1.73 1.85 0.00 3.19 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.56 0.00 31 M 7.52 3.43 0.00 0.94 1.56 0.00 0.00 0.00 0.00 0.00 2.19 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 7.41 4.60 0.00 3.34 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 8.16 3.94 0.00 1.95 1.80 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.73 4.28 0.00 2.71 2.67 0.00 0.00 7.32 7.82 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 35 W 7.84 4.75 0.00 3.74 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 36 G 8.34 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.91 4.67 0.00 2.15 1.66 1.09 0.94 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 38 K 7.97 3.82 0.00 2.02 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.33 3.99 0.00 2.09 1.98 0.00 3.49 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.84 4.13 0.00 1.72 1.09 1.05 -0.08 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 8.16 4.54 0.00 3.15 3.00 0.00 0.00 7.22 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 8.02 4.38 0.00 2.73 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 43 V 7.64 3.35 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 0.68 0.00 0.00 44 E 8.40 3.84 0.00 2.55 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.77 0.00 45 Y 8.41 3.98 0.00 3.03 3.14 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 0.00 0.00 0.00 46 H 8.25 3.97 0.00 3.26 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.72 3.55 0.00 1.16 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 1.95 2.09 0.00 48 S 7.62 4.05 0.00 3.93 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 7.17 3.52 1.71 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.67 0.78 0.00 0.00 50 D 7.69 4.18 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.08 4.00 0.00 2.21 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 2.53 2.70 0.00 52 M 7.95 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 53 K 7.97 3.96 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.59 7.81 54 H 8.23 4.08 0.00 3.52 3.43 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 8.24 4.22 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 8.51 4.30 0.00 2.85 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 57 R 7.89 3.86 0.00 1.81 1.75 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 58 Y 7.69 4.33 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 8.13 3.77 2.04 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 0.86 0.95 0.00 0.00 60 E 8.38 4.06 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 2.35 2.64 0.00 61 R 8.10 4.04 0.00 2.12 2.24 0.00 3.37 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 8.43 3.76 2.07 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 1.59 0.87 0.95 0.00 0.00 63 L 8.17 4.02 0.00 2.10 1.80 0.95 0.96 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 8.15 4.35 0.00 3.02 3.35 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 65 L 8.15 4.34 0.00 1.82 1.62 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.06 3.90 0.00 2.06 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 2.15 2.26 0.00 67 G 8.15 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 68 L 8.02 4.52 0.00 1.62 1.62 0.92 0.99 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 69 P 0.00 4.42 0.00 2.06 2.02 0.00 3.65 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 9.68 4.74 0.00 2.60 2.81 0.00 0.00 7.09 8.21 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 71 L 8.28 4.65 0.00 1.63 1.65 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.57 4.09 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 73 D 8.05 4.66 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.26 4.61 0.00 1.52 1.50 0.92 1.11 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 75 G 8.49 3.79 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 0.00 0.00 0.00 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 L 8.42 4.07 0.00 1.64 1.56 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.79 4.78 0.00 2.63 2.71 0.00 0.00 7.17 8.11 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 79 I 8.17 4.35 1.88 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 1.32 0.53 0.93 0.00 0.00 80 G 8.61 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 81 E 8.79 4.66 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 82 D 7.66 4.97 0.00 2.77 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 83 V 8.55 4.04 2.20 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 1.09 0.00 0.00 1.25 0.00 0.00 84 E 8.19 3.81 0.00 2.02 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 2.33 2.26 0.00 85 E 8.53 4.00 0.00 2.24 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 2.35 2.36 0.00 86 M 8.53 4.07 0.00 2.18 1.74 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.96 0.00 87 L 8.57 4.12 0.00 1.99 1.77 1.28 0.87 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 88 R 8.62 3.90 0.00 2.08 1.94 0.00 3.09 0.00 0.00 3.08 7.59 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 8.22 4.11 0.00 4.05 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 90 D 8.18 4.22 0.00 3.05 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 91 L 8.19 3.99 0.00 1.81 1.87 0.98 0.91 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 7.98 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.85 3.94 0.00 1.87 1.82 0.91 0.78 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 94 E 8.55 4.06 0.00 2.27 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 2.63 2.72 0.00 95 L 8.19 4.02 0.00 2.02 1.75 0.96 1.36 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 96 D 8.34 4.48 0.00 2.92 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 8.36 3.68 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 0.00 0.00 0.00 98 A 8.34 4.05 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 99 K 8.09 3.83 0.00 2.07 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 N 8.11 4.41 0.00 3.01 2.90 0.00 0.00 7.11 6.62 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 0.00 101 L 8.08 3.98 0.00 1.99 1.73 0.98 0.80 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 0.00 102 R 8.12 3.89 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.10 7.55 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 3.87 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 104 A 7.79 2.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.94 3.74 1.90 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 0.75 0.91 0.00 0.00 106 G 7.65 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 7.89 4.07 0.00 3.20 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 0.00 108 A 8.33 3.82 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 0.00 109 D 7.93 4.04 0.00 2.75 2.80 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 0.00 0.00 0.00 0.00 110 S 7.45 4.17 0.00 3.95 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 0.00 111 V 6.78 3.91 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 0.48 0.00 0.00 0.65 0.00 0.00 112 H 6.90 2.92 0.00 3.21 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.35 4.53 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 7.40 4.29 0.00 3.12 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 0.00 115 V 7.87 3.73 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 116 S 8.25 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 8.13 3.88 0.00 1.88 2.17 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 118 D 8.39 4.29 0.00 2.94 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 0.00 119 M 8.32 3.96 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 120 M 8.32 4.15 0.00 2.14 2.24 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 2.92 2.79 0.00 121 I 8.11 3.74 2.01 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 0.97 0.92 0.00 0.00 122 E 8.11 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 7.64 3.57 1.94 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.79 0.69 0.00 0.00 124 L 8.16 3.97 0.00 1.85 1.83 0.95 0.98 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 0.00 125 R 8.09 3.90 0.00 2.06 2.13 0.00 3.15 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 1.63 1.68 0.00 126 D 7.94 4.35 0.00 3.04 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 0.00 127 E 8.18 3.92 0.00 2.17 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 2.57 2.52 0.00 128 E 8.59 4.10 0.00 2.31 2.13 0.00 0.00 0.00 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 2.43 0.00 129 G 7.92 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 0.00 0.00 0.00 130 H 8.11 4.43 0.00 3.63 3.60 0.00 5.65 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 8.44 3.81 2.12 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 0.89 0.97 0.00 0.00 132 D 8.42 4.38 0.00 2.94 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 8.53 4.16 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.25 3.68 0.00 2.01 1.75 1.23 1.31 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 0.00 135 E 8.40 3.90 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 2.33 2.51 0.00 136 T 7.83 3.80 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 137 E 7.74 3.78 0.00 1.51 1.68 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 1.47 1.47 0.00 138 L 7.81 3.76 0.00 1.76 1.61 0.88 1.21 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 4.31 0.00 2.77 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 0.00 140 L 8.05 3.98 0.00 1.89 1.84 1.02 1.07 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 0.00 141 I 7.51 3.37 1.69 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 -0.30 -0.19 0.69 0.00 0.00 142 Q 7.41 3.92 0.00 1.98 2.20 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 2.33 2.50 0.00 143 K 8.05 4.13 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.66 7.81 144 M 8.32 4.38 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.83 0.00 145 G 7.55 4.07 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 0.00 0.00 0.00 146 L 8.34 3.99 0.00 1.74 1.66 0.95 0.68 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 0.00 147 Q 8.03 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.14 4.34 0.00 2.96 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 7.86 3.99 0.00 3.06 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 0.00 150 L 8.34 4.08 0.00 2.07 1.70 1.06 0.93 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 8.25 3.91 0.00 2.10 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 2.33 2.37 0.00 152 A 7.71 4.14 1.21 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 0.00 0.00 153 Q 7.88 4.33 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 154 I 7.42 3.94 2.01 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 1.17 0.86 0.91 0.00 0.00 155 R 7.54 4.60 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 156 E 8.63 4.05 0.00 2.13 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 2.26 2.28 0.00 157 E 8.60 3.95 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 2.29 2.30 0.00 *158 G 8.61 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.