NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1391 8.1627 120.2802 54.8172 33.2532 173.9014 2 K 3.9209 8.4397 128.0170 55.7893 32.4961 175.1068 3 G 3.9508 8.7199 115.9429 45.2269 0.0000 171.5098 4 D 4.5702 8.5051 119.7159 54.4170 42.0421 177.2194 5 T 3.8835 8.7982 122.6148 66.7732 68.6102 176.8467 6 K 3.8667 8.1746 121.0260 59.0654 32.2148 178.9040 7 V 3.9062 8.6259 119.0502 66.1631 31.4460 177.8831 8 I 3.7500 7.6935 119.1923 64.6979 36.9164 178.0976 9 N 4.2617 8.2009 117.0363 56.4418 38.3132 177.0706 10 Y 4.0869 7.9802 118.0319 61.1174 37.9795 178.6099 11 L 3.9179 8.4813 120.2627 57.9618 41.6453 179.4356 12 N 4.3392 8.5250 116.7912 56.0285 38.4116 177.4758 13 K 3.8841 8.1314 121.2695 59.3045 32.3062 178.9145 14 L 3.8030 8.1914 119.6854 57.5861 41.3866 178.9684 15 L 4.0004 7.7455 120.7644 58.3178 42.0255 179.2413 16 G 3.6303 8.2011 105.6375 47.9800 0.0000 175.3451 17 N 4.3865 8.0571 118.7980 56.1414 38.5782 177.4342 18 E 4.1099 8.2437 120.0006 59.3684 29.4517 179.2952 19 L 4.0406 8.2480 119.3459 57.7117 41.6155 179.7569 20 V 3.5507 7.7502 117.5508 66.0618 31.5003 177.9441 21 A 3.8358 8.0978 120.4261 55.0134 18.1939 179.3816 22 I 3.7591 8.3539 118.7213 64.9690 37.2858 178.3994 23 N 4.3994 7.9287 117.0417 56.3816 38.3833 177.4404 24 Q 3.8542 8.2603 121.1168 59.2905 29.1073 177.8123 25 Y 4.3392 8.3832 118.3360 60.9275 37.8841 178.1800 26 F 3.8342 8.5145 121.6553 61.0545 39.5166 176.8253 27 L 3.9348 8.1443 119.9436 58.5609 41.8500 178.3808 28 H 3.7662 8.1581 115.7872 58.8611 28.6085 177.1983 29 A 4.1454 8.3285 122.6267 55.7004 18.1226 179.8991 30 R 3.8320 7.7746 115.5462 58.6609 30.0681 179.2616 31 M 3.4351 7.8771 119.4166 58.1130 31.8275 178.4606 32 F 4.5648 7.4273 117.9028 60.5631 39.1206 177.5136 33 K 3.8850 8.2662 119.2817 59.6123 31.7512 178.1226 34 N 4.2762 7.9257 115.8541 56.6003 39.0101 176.4335 35 W 4.7471 7.9728 117.6449 57.5727 29.4388 177.2223 36 G 3.9779 8.3532 108.0589 46.2406 0.0000 174.2903 37 L 4.6582 8.0651 121.9644 52.6823 38.1981 177.0080 38 K 3.8137 7.9527 122.9907 59.9481 32.6282 177.5135 39 R 3.9401 8.3164 118.9312 59.1339 29.9065 178.3498 40 L 4.0950 7.8969 118.8811 57.0701 41.5067 178.7900 41 N 4.5296 8.1549 116.7873 56.8334 39.0464 176.3499 42 D 4.3321 8.0023 120.2247 57.4374 40.9453 179.1449 43 V 3.4457 7.6657 118.2602 66.1294 31.4759 177.9846 44 E 3.8982 8.4915 118.5553 59.2600 29.2878 178.6470 45 Y 3.8613 8.2342 119.8614 61.1737 38.7886 178.1325 46 H 4.1962 8.3387 116.4272 58.3168 28.6834 177.4816 47 E 3.6974 7.7561 120.7806 58.4710 29.2413 178.7299 48 S 4.1073 7.8886 113.6107 61.6140 62.4063 176.2934 49 I 3.5841 7.3768 122.2252 64.3426 36.7779 177.9848 50 D 4.2546 7.6635 119.6697 57.6804 40.6969 178.9965 51 E 4.1982 8.1601 118.7154 59.4172 29.3246 179.3813 52 M 4.0732 8.0242 118.9938 58.3728 32.0308 178.8210 53 K 3.9251 8.1743 118.6872 59.7032 32.1768 179.1169 54 H 4.0881 8.1391 116.1835 58.7846 28.5883 177.5189 55 A 4.2293 8.4823 122.9690 55.3753 18.1472 179.0037 56 D 4.3034 8.3090 116.4880 57.7668 41.2677 178.8042 57 R 3.8713 7.9090 118.3656 59.4287 30.0074 178.7239 58 Y 4.3067 7.8826 116.4916 61.1750 37.9002 178.5697 59 I 3.7918 8.2361 121.0628 64.6212 37.2263 178.4424 60 E 4.0788 8.5145 119.5421 59.1206 29.2086 179.4893 61 R 4.0172 8.1419 118.9040 59.5514 30.1855 178.3409 62 I 3.7673 8.4275 119.9744 64.7058 37.1744 178.3865 63 L 4.0227 8.0599 119.5250 57.7130 41.2135 179.3891 64 F 4.3687 8.1663 119.7157 61.2403 39.7224 176.5611 65 L 4.4154 8.2367 117.7691 54.1414 41.1002 177.2277 66 E 3.8987 8.0013 117.6354 57.4144 27.0198 174.4454 67 G 3.9718 8.1213 108.6986 44.0031 0.0000 173.5746 68 L 4.5381 8.0236 119.1479 52.0207 42.0993 175.1138 69 P 4.4077 0.0000 0.0000 62.4827 31.8050 175.9612 70 N 4.7430 9.4326 121.9592 52.3789 38.9938 173.9335 71 L 4.6335 8.3573 124.2344 54.5645 42.5286 177.4036 72 Q 4.1244 8.5414 121.9265 58.0359 29.3794 175.8568 73 D 4.6431 8.0657 117.4132 52.8805 41.7737 175.2153 74 L 4.5662 8.3130 125.8910 52.7532 43.9393 176.4240 75 G 3.8095 8.4289 115.4245 44.6141 0.0000 171.8948 76 K 4.0829 8.3078 120.7435 55.8158 32.3866 176.6599 77 L 4.1057 8.3315 126.7143 54.5043 42.2739 176.3120 78 N 4.8056 8.8585 120.5108 52.0242 40.2087 174.3461 79 I 3.8509 8.5059 126.5097 64.0554 37.7332 178.2352 80 G 4.1650 8.2429 102.2477 45.8469 0.0000 172.5778 81 E 4.7908 8.5828 115.9143 55.4681 31.8949 176.3167 82 D 5.0281 7.7218 117.7503 50.4088 43.9709 175.9018 83 V 3.9903 8.5428 118.9012 66.7244 31.3192 177.4048 84 E 3.8672 8.2600 117.8907 59.5934 29.4793 178.3630 85 E 4.0007 8.5632 119.2114 59.5534 29.6557 178.7119 86 M 4.1242 8.3281 117.1414 58.2426 31.3713 178.6081 87 L 4.1324 8.4954 120.5533 57.6172 41.7471 179.4001 88 R 3.8933 8.5092 119.1420 59.4245 30.0856 178.5760 89 S 4.0959 8.1775 113.0564 61.3561 62.4280 175.7945 90 D 4.2418 8.1602 121.6748 57.1510 40.5572 178.4695 91 L 3.9931 8.2217 120.6310 58.2890 42.1596 178.8103 92 A 4.0102 8.2230 120.7949 55.2010 18.2302 179.4124 93 L 3.9360 7.8858 118.4771 58.2470 42.1500 179.0756 94 E 4.0562 8.3594 118.6228 59.3649 29.5553 179.1853 95 L 4.0471 8.1181 119.0624 58.1279 41.8386 179.4549 96 D 4.5273 8.3392 118.8595 57.1677 40.7061 179.0852 97 G 3.6475 8.2180 106.3144 47.5407 0.0000 175.7656 98 A 4.0511 8.5702 123.6021 54.6332 18.4829 179.4997 99 K 3.8330 7.9662 117.8239 59.9677 32.2703 178.6782 100 N 4.3912 8.0546 116.2084 56.3814 38.4011 177.3996 101 L 3.9893 8.1312 120.3106 57.8444 41.5903 179.7744 102 R 3.8955 8.2427 118.2027 59.1228 29.9817 178.7605 103 E 3.8416 8.0742 118.4915 59.2994 29.6168 178.7702 104 A 2.8461 7.8595 120.8579 54.7220 18.4158 179.6446 105 I 3.7121 7.9313 118.6415 64.4522 36.9410 178.8723 106 G 3.6038 7.5919 105.3805 47.8924 0.0000 174.8844 107 Y 4.1783 7.9349 122.6234 59.7307 38.8577 177.3894 108 A 3.8225 8.2256 122.0655 55.2132 18.4677 179.0370 109 D 4.0960 7.8992 116.3955 57.4517 41.3910 178.5329 110 S 4.1498 7.7384 114.0081 60.1184 62.9743 175.6611 111 V 4.0628 6.8391 113.7789 60.7305 31.6341 175.6316 112 H 2.8331 7.0230 114.1165 56.6191 27.0688 176.4576 113 D 4.5379 7.4081 121.0717 53.5373 37.4990 176.3155 114 Y 4.3470 7.3836 121.2859 60.6374 38.4015 178.3876 115 V 3.7136 7.8452 119.9983 64.7851 31.8314 178.2875 116 S 4.1635 8.2867 115.7331 61.4513 62.6106 176.7489 117 R 3.8990 8.1026 121.1359 59.4639 29.9641 178.1107 118 D 4.2999 8.3086 117.9657 57.5324 41.3182 177.7152 119 M 3.9929 8.3455 119.0408 59.1099 32.1320 178.1763 120 M 4.1522 8.2194 118.7652 58.3527 32.0998 178.8304 121 I 3.7223 8.1570 120.4601 64.2454 37.3428 178.2039 122 E 3.9552 8.0803 119.1837 59.5855 29.2504 179.5756 123 I 3.5611 7.6328 119.6112 64.1173 37.0957 178.1471 124 L 3.9302 8.1236 121.4109 58.1703 41.9986 179.0152 125 R 3.9004 8.0216 118.5731 59.6266 30.0264 178.2506 126 D 4.3665 7.9484 118.3619 57.3642 40.7602 178.6960 127 E 3.9413 8.3153 119.3524 59.3353 29.4726 178.9262 128 E 4.1930 8.7636 120.0024 59.1183 29.6156 179.1759 129 G 3.6364 7.9497 105.5359 48.0685 0.0000 175.4514 130 H 4.5674 8.1276 118.7792 58.6616 28.6729 177.7888 131 I 3.7949 8.3492 122.0550 64.5791 37.0134 177.7156 132 D 4.3632 8.2938 118.6612 57.3984 40.9950 178.0511 133 F 4.1939 8.3401 120.8702 61.3982 39.3879 177.0005 134 L 3.7254 8.2239 118.3876 57.8425 41.5011 179.2797 135 E 3.9159 8.3447 118.5490 59.7703 29.3312 179.6788 136 T 3.8073 7.9091 115.4423 66.6367 68.5526 176.3945 137 E 3.8657 7.7993 120.3489 59.5364 29.0540 179.5050 138 L 3.8001 7.8565 118.8273 57.9318 41.5632 179.4414 139 D 4.3723 8.1540 118.7618 57.1924 40.6372 178.7393 140 L 3.9734 8.0883 119.7611 57.7944 41.6529 179.4234 141 I 3.4012 7.4663 119.6787 64.5793 36.7578 178.5243 142 Q 3.9691 7.3764 116.2426 58.7875 28.6427 178.5109 143 K 4.1459 8.2188 119.1873 58.8775 32.2611 178.4236 144 M 4.4004 8.3267 114.6320 53.9197 32.5421 177.0956 145 G 4.1203 7.5893 105.9796 46.0178 0.0000 174.3954 146 L 3.9665 8.4396 121.8220 58.0419 42.1524 179.3822 147 Q 3.9915 8.0712 117.4203 59.3189 28.8727 178.6699 148 N 4.3791 8.1417 116.8111 56.2785 38.3776 176.7293 149 Y 3.9913 8.0127 120.2496 60.6199 39.1468 177.8017 150 L 4.0589 8.4603 120.2900 57.9598 41.6489 179.2351 151 Q 3.8908 8.1010 119.1591 59.1165 28.7199 177.8323 152 A 4.1294 7.5338 119.2153 53.5187 18.7129 178.2884 153 Q 4.2132 7.8220 116.0541 55.8726 29.0751 177.7341 154 I 3.9133 7.2265 120.9562 63.1198 37.4015 176.5989 155 R 4.6304 7.5176 117.4600 53.9019 31.9554 175.9312 156 E 4.1111 8.4077 119.1027 56.0217 30.4630 175.8128 157 E 4.1023 8.4985 121.8456 55.2493 30.4933 176.5210 *158 G 3.7273 8.5985 114.1477 45.8877 0.0000 172.1734 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 1.78 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 2.43 0.00 2 K 8.44 3.92 0.00 1.84 1.69 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 8.72 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 8.51 4.57 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 3.87 0.00 1.71 1.93 0.00 1.44 0.00 0.00 1.08 0.00 0.00 2.51 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.72 0.99 7.81 7 V 8.63 3.91 2.36 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 1.16 0.00 0.00 1.21 0.00 0.00 8 I 7.69 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 0.56 0.91 0.00 0.00 9 N 8.20 4.26 0.00 2.59 2.67 0.00 0.00 7.07 6.76 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 10 Y 7.98 4.09 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 8.48 3.92 0.00 2.01 1.77 1.09 0.79 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 8.52 4.34 0.00 2.76 2.82 0.00 0.00 6.68 7.94 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 13 K 8.13 3.88 0.00 1.75 2.00 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.19 3.80 0.00 0.95 1.16 0.94 0.51 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 4.00 0.00 1.69 1.85 1.02 1.03 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 8.20 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 17 N 8.06 4.39 0.00 2.96 2.91 0.00 0.00 7.05 7.81 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 18 E 8.24 4.11 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 2.77 2.89 0.00 19 L 8.25 4.04 0.00 1.83 1.72 0.95 1.14 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 3.55 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 8.10 3.84 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 3.76 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 1.11 0.90 0.00 0.00 23 N 7.93 4.40 0.00 2.83 2.86 0.00 0.00 6.76 7.72 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 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 8.38 4.34 0.00 3.19 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 8.51 3.83 0.00 3.42 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 8.14 3.93 0.00 1.96 1.59 0.88 0.86 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 8.16 3.77 0.00 3.50 3.28 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 8.33 4.15 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 30 R 7.77 3.83 0.00 1.76 1.89 0.00 3.30 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.76 0.00 31 M 7.88 3.44 0.00 0.85 1.51 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.15 0.00 32 F 7.43 4.56 0.00 3.31 3.23 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 33 K 8.27 3.89 0.00 2.06 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 1.41 1.43 7.81 34 N 7.93 4.28 0.00 2.68 2.68 0.00 0.00 7.34 8.67 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 35 W 7.97 4.75 0.00 3.72 3.18 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 0.00 0.00 0.00 36 G 8.35 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 8.07 4.66 0.00 2.17 1.65 1.08 0.77 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 3.81 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 8.32 3.94 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 7.90 4.10 0.00 1.64 1.02 1.02 0.19 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 3.10 3.01 0.00 0.00 7.23 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 -0.12 0.00 0.00 0.85 0.00 0.00 44 E 8.49 3.90 0.00 2.28 2.35 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 2.65 3.08 0.00 45 Y 8.23 3.86 0.00 2.92 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 8.34 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 7.76 3.70 0.00 1.20 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 1.75 1.90 0.00 48 S 7.89 4.11 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 7.38 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 7.66 4.25 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 8.16 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 2.73 2.82 0.00 52 M 8.02 4.07 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 53 K 8.17 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 8.48 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 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 7.88 4.31 0.00 3.24 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 8.24 3.79 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 1.57 0.82 0.95 0.00 0.00 60 E 8.51 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 8.14 4.02 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 8.43 3.77 1.94 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 0.78 0.98 0.00 0.00 63 L 8.06 4.02 0.00 2.11 1.80 0.95 1.05 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 64 F 8.17 4.37 0.00 2.98 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 8.24 4.42 0.00 1.69 1.62 1.00 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 8.00 3.90 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 8.12 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 4.54 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 4.41 0.00 2.06 2.02 0.00 3.65 0.00 0.00 3.82 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 4.74 0.00 2.58 2.78 0.00 0.00 7.06 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 71 L 8.36 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 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.54 4.12 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.07 4.64 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 1.48 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 4.08 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 7.49 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 79 I 8.51 3.85 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 0.92 0.00 0.00 80 G 8.24 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 8.58 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 8.54 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 1.25 0.00 0.00 1.26 0.00 0.00 84 E 8.26 3.87 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 2.30 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 8.33 4.12 0.00 2.30 1.76 0.00 0.00 0.00 0.00 0.00 1.29 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 8.50 4.13 0.00 2.05 1.79 1.23 0.65 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 1.64 0.00 89 S 8.18 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 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.22 3.99 0.00 1.80 1.88 0.97 0.85 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 92 A 8.22 4.01 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 1.89 1.79 0.90 0.67 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 8.36 4.06 0.00 2.27 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 8.12 4.05 0.00 2.04 1.74 0.96 1.02 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 8.34 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 8.22 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 8.57 4.05 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 7.97 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 1.51 7.81 100 N 8.05 4.39 0.00 3.01 2.91 0.00 0.00 7.13 6.09 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 0.00 101 L 8.13 3.99 0.00 1.99 1.74 0.98 0.96 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 8.24 3.90 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 1.97 0.00 103 E 8.07 3.84 0.00 2.22 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 2.37 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 7.93 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 1.18 0.91 0.00 0.00 106 G 7.59 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 7.93 4.18 0.00 3.12 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 0.00 108 A 8.23 3.82 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 7.90 4.10 0.00 2.89 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 4.15 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 6.84 4.06 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 0.51 0.00 0.00 0.65 0.00 0.00 112 H 7.02 2.83 0.00 3.18 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.41 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 4.35 0.00 3.12 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 0.00 115 V 7.85 3.71 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 1.04 0.00 0.00 0.97 0.00 0.00 116 S 8.29 4.16 0.00 4.22 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 8.10 3.90 0.00 1.91 2.21 0.00 3.34 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 8.35 3.99 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.21 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 4.15 0.00 2.16 2.27 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 2.93 2.81 0.00 121 I 8.16 3.72 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 0.74 0.91 0.00 0.00 122 E 8.08 3.96 0.00 2.28 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 2.32 2.34 0.00 123 I 7.63 3.56 1.92 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 0.50 0.74 0.00 0.00 124 L 8.12 3.93 0.00 1.86 1.87 0.99 0.90 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 8.02 3.90 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 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 7.95 4.37 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 8.32 3.94 0.00 2.13 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 8.76 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 7.95 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 0.00 130 H 8.13 4.57 0.00 3.52 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 8.35 3.79 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 0.84 0.96 0.00 0.00 132 D 8.29 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 8.34 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 8.22 3.73 0.00 1.94 1.72 1.26 1.19 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 8.34 3.92 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 2.49 0.00 136 T 7.91 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 7.80 3.87 0.00 1.77 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 1.75 0.00 138 L 7.86 3.80 0.00 1.73 1.63 0.90 0.97 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 8.15 4.37 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 1.90 1.86 1.01 0.94 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 7.47 3.40 1.73 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.08 0.73 0.00 0.00 142 Q 7.38 3.97 0.00 2.12 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 2.53 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 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 144 M 8.33 4.40 0.00 2.18 2.20 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 2.61 2.85 0.00 145 G 7.59 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 8.44 3.97 0.00 1.75 1.67 0.96 0.72 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 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 2.44 2.46 0.00 148 N 8.14 4.38 0.00 2.98 2.89 0.00 0.00 6.69 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 8.01 3.99 0.00 3.02 3.17 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 0.00 150 L 8.46 4.06 0.00 2.01 1.69 1.05 0.96 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 8.10 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 2.33 2.37 0.00 152 A 7.53 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 7.82 4.21 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 2.13 2.17 0.00 154 I 7.23 3.91 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 1.31 0.86 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.