NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 Q 4.1655 8.3449 121.7014 55.9717 30.1461 174.3753 40 S 4.6700 8.4006 120.8012 56.4775 65.4168 171.8436 41 S 4.9238 8.1863 117.6742 56.7500 66.6995 174.0021 42 V 4.5579 8.1201 121.1841 60.1181 34.1185 174.8621 43 S 4.9645 8.5085 118.1313 56.8017 65.9885 173.1660 44 W 5.0145 8.2628 130.4681 55.4290 33.3515 172.7184 45 P 2.9700 0.0000 0.0000 62.1051 31.5867 175.6041 46 Q 4.6352 7.8201 117.9178 55.1023 32.2666 176.3258 47 N 3.9278 8.5672 117.2903 54.8848 37.0801 175.9830 48 G 4.0916 8.4848 106.1364 46.4387 0.0000 172.6100 49 S 4.6680 7.4838 112.4981 56.1525 64.7142 173.4189 50 L 4.1801 8.3486 125.4323 54.8846 41.8392 176.9311 51 N 4.5966 7.6553 117.2233 53.1444 39.0426 175.2852 52 S 4.4100 8.6328 117.4111 58.9561 63.6054 174.3302 53 V 4.5706 7.9491 115.6452 59.5265 34.9222 175.4959 54 S 4.5635 8.6125 118.0956 57.4490 64.6683 174.2518 55 A 4.7516 8.0542 124.1172 50.0109 18.5411 174.0102 56 P 4.4176 0.0000 0.0000 61.3943 32.5952 176.8998 57 L 4.2708 8.1878 123.8209 54.4509 43.1916 175.6967 *59 S 4.4816 8.3680 114.4171 58.7291 64.1176 172.2921 60 Y 4.7302 6.9959 117.5990 56.9312 41.3938 172.8176 61 T 5.1367 8.5041 116.7620 61.0774 69.7355 173.4772 62 P 4.5982 0.0000 0.0000 62.4535 32.3679 176.4910 63 I 4.0728 8.4383 120.6197 64.3331 37.4117 176.2073 64 S 5.5105 8.0674 113.8211 56.9529 67.1832 172.3531 65 F 5.3476 8.6786 121.7018 56.5911 42.7003 172.8170 66 D 5.1203 8.6765 124.3671 51.6697 43.2973 174.1350 67 A 4.9309 8.3057 120.6071 50.3913 23.5725 175.1143 68 K 4.9387 8.8882 120.2282 54.7460 34.8639 175.4841 69 I 4.4162 8.6137 126.8372 58.6075 39.7433 173.4904 70 P 4.7142 0.0000 0.0000 63.2974 31.7222 178.1341 71 V 3.8860 8.9752 115.4888 62.9901 31.7836 178.2025 72 A 4.2378 7.8709 120.2789 53.8960 18.3658 179.3170 73 S 4.1410 7.8911 114.0735 61.3250 62.6218 176.6624 74 V 3.6558 7.3055 119.3193 65.9484 31.3204 177.2335 75 D 4.6480 7.8476 116.2974 55.2882 41.0144 176.9650 76 K 4.6137 7.6629 119.1392 55.8975 32.8743 175.6285 77 L 4.7170 7.8216 118.3294 54.3443 42.6126 177.3144 78 R 4.3339 8.9497 121.5452 55.8046 31.5087 176.2949 79 K 3.9267 8.6770 120.3880 58.2274 32.3927 176.4490 80 D 4.4327 8.9093 122.0958 55.0000 38.6162 173.2545 81 Q 4.7596 7.9102 117.7370 54.2733 30.9741 175.0884 82 D 5.1086 8.2448 117.4586 51.8191 42.2210 174.8828 83 L 4.4597 7.8999 122.8977 55.4430 42.4197 177.1313 84 I 4.0386 9.0179 128.8288 63.8064 38.1916 176.7077 85 L 4.8346 7.7395 122.3841 54.0147 45.4897 174.4013 86 G 5.2340 9.3594 112.5549 44.7778 0.0000 172.6962 87 T 5.2751 7.6980 107.9906 60.6488 70.4398 174.0798 88 L 4.9015 7.7777 121.1702 52.1404 45.9295 174.3354 89 P 3.7808 0.0000 0.0000 61.8083 32.1014 177.2953 90 A 3.9382 8.3398 122.3919 54.6865 18.3323 178.1185 91 N 4.9543 7.6865 112.3007 53.0287 39.4572 175.0123 92 S 4.3482 7.7658 114.5075 57.7746 63.6804 174.1026 93 E 4.0176 8.6585 123.6413 58.2215 29.8264 176.3983 94 D 4.3876 8.9681 120.6251 55.0005 39.0775 175.7755 95 A 4.0319 7.8939 123.7405 55.4170 18.5019 181.1971 96 G 3.5865 8.1406 102.8550 48.6669 0.0000 174.2599 97 A 4.2592 8.0325 121.3860 53.4114 19.0987 178.6191 98 R 3.9296 7.8735 113.1938 57.2500 33.8710 176.3466 99 G 3.9168 8.3907 105.8146 44.7799 0.0000 171.7776 100 L 5.0079 7.7689 121.4509 53.0072 44.5666 175.6433 101 F 5.2755 9.4368 124.3564 55.7267 43.4165 173.9140 102 V 4.7394 9.1045 124.1311 61.7106 32.8144 174.6359 103 R 5.3286 9.2469 127.3064 54.4960 34.1699 175.2679 104 A 5.1798 9.0215 123.6342 50.8279 22.0141 173.8556 105 N 4.7938 8.9787 124.0461 52.0184 38.6967 175.7883 106 D 4.3005 8.8839 114.3757 57.3278 41.5413 177.2794 107 D 4.6452 7.8320 116.4611 53.9266 42.1912 176.1747 108 G 4.0183 7.4666 104.6109 43.9781 0.0000 172.8845 109 L 5.4079 9.3001 125.2545 53.1390 44.8099 175.9446 110 Q 5.2325 8.9959 123.6599 54.4358 32.2879 174.2617 111 I 5.1512 9.0577 122.0263 59.9766 40.5909 174.5197 112 T 5.2997 9.2821 124.0462 61.6794 71.9591 173.2513 113 S 5.0414 8.5911 119.9805 57.2299 66.6684 173.4259 114 H 4.2367 9.3479 119.6448 56.0607 28.6278 175.7769 115 G 3.9208 8.4843 103.8645 45.0274 0.0000 173.4368 116 E 4.3009 8.2685 122.3689 54.2204 30.3848 174.7267 117 L 4.3003 8.4701 128.9823 54.9591 41.9507 176.4015 118 V 3.9670 8.4517 126.9128 63.7709 32.4851 176.2991 119 L 4.8748 7.8839 124.1214 52.3381 44.8357 174.0658 120 D 5.5576 8.8573 125.5866 51.5744 41.9902 175.4827 121 L 5.0318 9.1306 121.9103 52.6268 45.1928 176.8260 122 S 4.7209 8.6381 118.8249 57.9943 63.5384 175.2402 123 K 4.2053 8.3580 119.0055 58.8183 33.3186 179.3341 124 R 4.0372 8.0836 119.4282 59.4105 29.5533 178.1378 125 E 3.9495 8.0515 118.2690 59.6779 29.3929 179.3267 126 L 3.9885 8.0022 118.4579 57.9931 41.5096 179.6376 127 A 4.0896 7.7933 120.1178 54.6602 18.4813 178.2917 128 Q 4.2678 7.5421 112.4785 56.9256 29.3112 176.6226 129 L 4.1228 7.3351 118.3053 53.9062 42.2738 175.3148 130 P 4.4670 0.0000 0.0000 62.1914 32.0026 177.5044 131 A 4.0710 8.4554 122.5853 54.7240 18.4485 178.2084 132 D 4.7086 7.9496 113.2370 53.0713 39.9615 176.4127 133 A 4.2429 7.6919 122.2197 52.9778 19.8468 177.1616 134 T 4.9466 8.3026 115.8413 61.7210 72.5798 173.1958 135 I 4.6202 8.8563 127.2616 60.8153 38.7596 174.5614 136 A 5.1504 9.0874 129.3489 50.2678 21.3814 175.4459 137 I 5.1067 8.5580 122.4262 59.6627 41.2880 175.0251 138 S 4.8608 9.6067 121.1516 56.9332 67.4673 172.7729 139 A 5.0467 9.5008 127.0701 50.6715 20.6819 175.0329 140 T 5.1492 8.6525 117.7839 62.0377 72.8840 175.6110 141 E 4.0082 8.9407 120.5937 59.4462 30.0009 178.1914 142 D 4.5113 8.2042 118.5541 55.5093 39.6436 175.7537 143 E 5.0370 7.6392 116.4921 55.0306 33.6238 173.5982 144 T 5.1441 8.8726 118.1068 62.2493 70.8786 173.5747 145 T 5.2591 8.9540 117.3750 60.1897 72.0186 173.3172 146 A 5.5532 7.8949 123.6622 51.6480 23.2930 175.5598 147 G 4.1472 8.1245 106.7966 45.7463 0.0000 172.2375 148 I 4.5275 8.2197 121.7412 60.3004 37.9492 176.0293 149 E 4.0063 8.6308 128.8886 58.1053 29.6726 177.2715 150 G 3.9535 9.2699 113.4378 45.7282 0.0000 173.2559 151 D 4.6310 8.0199 119.6450 52.3864 41.2900 174.7353 152 D 5.2059 8.2220 119.2896 52.6232 39.8969 178.3773 153 S 4.3264 7.7951 115.9130 60.7648 62.9477 174.6729 154 T 4.5096 7.5628 109.0954 61.9569 70.6911 175.3083 155 T 4.0726 8.0217 119.7388 64.4504 69.6001 172.5446 156 E 4.9549 9.5490 126.2682 54.7079 32.4164 175.0016 157 T 4.8355 8.4112 118.3627 60.1874 70.0793 173.3588 158 V 3.8486 8.8906 131.3034 61.8368 32.3953 175.3781 159 E 4.6387 8.6982 129.5784 56.4748 29.6530 175.4351 160 R 4.6032 7.6589 114.8705 53.3676 33.3550 174.6308 161 D 4.7329 8.4183 118.6572 54.0414 41.1756 176.4368 162 V 4.5419 7.9848 122.1320 60.6524 33.0777 175.9730 163 R 4.0502 7.9405 118.2521 55.7290 30.5101 175.4081 164 P 4.7458 0.0000 0.0000 62.1184 32.6688 175.6995 165 I 4.2165 8.3595 120.5846 61.3616 38.4741 175.4084 166 I 4.7497 7.6356 125.7392 58.4796 41.7596 175.0543 *168 G 3.9459 8.1090 108.5167 46.2001 0.0000 170.7857 169 I 4.7192 7.6785 120.6687 59.8030 39.6749 174.9103 170 Y 4.9062 8.4369 124.7024 56.7739 41.4639 174.8238 171 T 4.7123 8.1919 112.2338 61.0533 70.5345 172.8651 172 E 4.8574 8.6013 127.4348 55.8409 30.5890 176.1965 173 L 4.4265 7.7613 119.3888 54.3139 42.6362 177.3011 174 E 4.0139 9.1353 124.6437 56.5422 30.3294 177.6312 175 S 4.1818 9.0513 122.5911 61.9038 62.8005 176.5487 176 N 4.5218 8.1113 116.2868 54.7280 37.3223 175.8140 177 A 4.3846 7.9089 122.1891 52.8012 18.5736 178.6988 178 A 3.9163 7.7461 120.4793 55.2653 18.4761 179.7881 179 A 3.9234 7.9284 118.3141 55.2934 18.0117 179.3095 180 D 4.2774 8.0310 116.8057 57.6267 41.0198 178.9762 181 L 4.0168 8.1224 119.4265 57.8235 41.6624 179.4668 182 L 4.0008 8.1645 119.1541 58.0817 41.3744 179.4026 183 N 4.4640 8.1722 114.6019 55.2119 38.5528 176.2459 184 A 4.5320 7.4334 119.4844 51.7210 19.4354 177.5551 185 G 3.8847 7.8813 105.8863 44.7234 0.0000 173.5425 186 L 4.2175 7.3943 121.1233 55.8122 42.5929 176.1693 187 N 4.6114 8.5099 120.0490 52.8366 43.0367 172.8478 188 A 5.0373 8.6835 126.4087 50.4085 22.6443 174.8100 189 H 4.7788 9.1098 120.6969 54.5005 33.4720 172.0679 190 V 4.8098 8.4764 125.3886 61.2079 33.8324 174.1041 191 E 4.5737 8.6725 127.7105 54.9474 31.2540 175.1032 192 I 4.6106 8.1887 124.7402 59.3250 40.0698 174.5804 193 N 4.5158 8.6401 124.6804 52.5927 39.6699 174.8305 194 S 3.8665 8.1142 119.3227 58.8555 64.3669 174.6070 195 R 3.9247 7.5127 120.6221 55.5511 30.3433 175.5896 196 F 5.1516 8.4934 121.1105 55.9253 42.0317 175.1435 197 T 4.2132 8.6939 117.7094 62.2166 67.2508 173.8720 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 39 Q 8.34 4.17 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 40 S 8.40 4.67 0.00 3.92 3.74 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 41 S 8.19 4.92 0.00 3.82 3.75 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 42 V 8.12 4.56 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 0.80 0.00 0.00 1.00 0.00 0.00 43 S 8.51 4.96 0.00 3.88 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 44 W 8.26 5.01 0.00 3.19 3.01 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 45 P 0.00 2.97 0.00 1.54 1.27 0.00 3.32 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.00 46 Q 7.82 4.64 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 5.91 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 47 N 8.57 3.93 0.00 2.79 2.64 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 48 G 8.48 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.48 4.67 0.00 3.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.35 4.18 0.00 1.65 1.77 0.65 1.05 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 51 N 7.66 4.60 0.00 2.75 2.85 0.00 0.00 6.93 7.85 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 52 S 8.63 4.41 0.00 3.89 3.78 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 53 V 7.95 4.57 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 1.08 0.00 0.00 1.07 0.00 0.00 54 S 8.61 4.56 0.00 3.99 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 55 A 8.05 4.75 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.42 0.00 2.11 2.04 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 57 L 8.19 4.27 0.00 1.71 1.75 0.94 1.09 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 *59 S 8.37 4.48 0.00 3.76 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 60 Y 7.00 4.73 0.00 3.13 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 61 T 8.50 5.14 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 62 P 0.00 4.60 0.00 2.57 2.28 0.00 4.04 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 63 I 8.44 4.07 1.98 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 1.46 0.78 0.91 0.00 0.00 64 S 8.07 5.51 0.00 3.87 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 65 F 8.68 5.35 0.00 3.18 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 66 D 8.68 5.12 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 67 A 8.31 4.93 1.18 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 0.00 0.00 68 K 8.89 4.94 0.00 1.78 1.70 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.50 7.81 69 I 8.61 4.42 1.90 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 1.27 1.19 0.94 0.00 0.00 70 P 0.00 4.71 0.00 2.08 2.00 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 71 V 8.98 3.89 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 0.95 0.00 0.00 0.96 0.00 0.00 72 A 7.87 4.24 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.89 4.14 0.00 4.06 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 74 V 7.31 3.66 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 0.84 0.00 0.00 0.99 0.00 0.00 75 D 7.85 4.65 0.00 2.91 2.71 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 76 K 7.66 4.61 0.00 1.82 1.76 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.51 7.81 77 L 7.82 4.72 0.00 1.54 1.61 0.98 1.03 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 78 R 8.95 4.33 0.00 1.75 1.86 0.00 3.16 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 79 K 8.68 3.93 0.00 1.62 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 80 D 8.91 4.43 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.91 4.76 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 82 D 8.24 5.11 0.00 2.78 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.90 4.46 0.00 1.83 1.65 1.19 1.24 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 84 I 9.02 4.04 2.04 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 1.15 0.71 0.96 0.00 0.00 85 L 7.74 4.83 0.00 1.76 1.54 1.12 0.98 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 86 G 9.36 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.70 5.28 4.03 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 0.75 0.00 0.00 88 L 7.78 4.90 0.00 1.77 1.57 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 3.78 0.00 1.95 1.55 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 90 A 8.34 3.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 7.69 4.95 0.00 2.64 2.76 0.00 0.00 6.96 7.57 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 92 S 7.77 4.35 0.00 3.89 3.74 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 93 E 8.66 4.02 0.00 1.93 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 2.30 2.27 0.00 94 D 8.97 4.39 0.00 2.89 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 95 A 7.89 4.03 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 96 G 8.14 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 97 A 8.03 4.26 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 98 R 7.87 3.93 0.00 1.70 1.84 0.00 3.09 0.00 0.00 3.50 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 99 G 8.39 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 0.00 100 L 7.77 5.01 0.00 1.29 0.86 0.72 0.85 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 0.00 101 F 9.44 5.28 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 9.10 4.74 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 0.98 0.00 0.00 1.01 0.00 0.00 103 R 9.25 5.33 0.00 1.75 1.78 0.00 3.13 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 104 A 9.02 5.18 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 0.00 105 N 8.98 4.79 0.00 2.83 2.79 0.00 0.00 6.18 7.45 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 0.00 106 D 8.88 4.30 0.00 2.64 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 0.00 107 D 7.83 4.65 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 0.00 108 G 7.47 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.30 5.41 0.00 1.68 1.52 0.95 0.73 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 0.00 110 Q 9.00 5.23 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 111 I 9.06 5.15 1.91 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 1.28 0.70 0.95 0.00 0.00 112 T 9.28 5.30 4.38 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 1.32 0.00 0.00 113 S 8.59 5.04 0.00 3.78 3.78 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 0.00 114 H 9.35 4.24 0.00 3.39 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.48 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 0.00 116 E 8.27 4.30 0.00 2.04 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 2.29 0.00 117 L 8.47 4.30 0.00 1.65 1.61 1.01 1.06 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 0.00 118 V 8.45 3.97 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 0.82 0.00 0.00 0.96 0.00 0.00 119 L 7.88 4.87 0.00 1.73 1.54 0.94 1.11 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 0.00 120 D 8.86 5.56 0.00 2.70 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 0.00 121 L 9.13 5.03 0.00 1.53 1.58 0.94 0.70 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 0.00 122 S 8.64 4.72 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.36 4.21 0.00 1.89 1.98 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.46 7.81 124 R 8.08 4.04 0.00 1.92 2.02 0.00 3.20 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 125 E 8.05 3.95 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 126 L 8.00 3.99 0.00 1.96 1.75 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.79 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.54 4.27 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 129 L 7.34 4.12 0.00 1.80 1.61 0.93 1.44 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 0.00 130 P 0.00 4.47 0.00 2.36 1.98 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 131 A 8.46 4.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 7.95 4.71 0.00 2.79 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 0.00 133 A 7.69 4.24 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 0.00 134 T 8.30 4.95 4.35 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 1.26 0.00 0.00 135 I 8.86 4.62 1.90 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 1.35 0.93 1.00 0.00 0.00 136 A 9.09 5.15 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 0.00 137 I 8.56 5.11 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 1.12 0.00 0.00 138 S 9.61 4.86 0.00 3.68 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 0.00 139 A 9.50 5.05 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 0.00 140 T 8.65 5.15 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 141 E 8.94 4.01 0.00 2.08 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 2.29 2.31 0.00 142 D 8.20 4.51 0.00 2.81 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 0.00 143 E 7.64 5.04 0.00 2.03 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 2.21 2.29 0.00 144 T 8.87 5.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 145 T 8.95 5.26 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 146 A 7.89 5.55 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.22 4.53 1.88 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 1.12 1.18 0.92 0.00 0.00 149 E 8.63 4.01 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 150 G 9.27 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 0.00 151 D 8.02 4.63 0.00 2.67 2.65 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 0.00 152 D 8.22 5.21 0.00 2.81 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 0.00 153 S 7.80 4.33 0.00 4.02 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 0.00 154 T 7.56 4.51 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 155 T 8.02 4.07 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 156 E 9.55 4.95 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 157 T 8.41 4.84 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 158 V 8.89 3.85 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 0.93 0.00 0.00 0.95 0.00 0.00 159 E 8.70 4.64 0.00 1.95 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 2.26 2.39 0.00 160 R 7.66 4.60 0.00 1.80 1.81 0.00 3.26 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 161 D 8.42 4.73 0.00 2.82 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 0.00 162 V 7.98 4.54 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 0.80 0.00 0.00 1.00 0.00 0.00 163 R 7.94 4.05 0.00 1.83 1.90 0.00 3.42 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 164 P 0.00 4.75 0.00 1.92 1.84 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 165 I 8.36 4.22 1.82 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 1.20 0.96 0.81 0.00 0.00 166 I 7.64 4.75 1.59 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 0.95 1.65 0.95 0.00 0.00 *168 G 8.11 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 0.00 169 I 7.68 4.72 1.76 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 0.93 0.00 0.00 170 Y 8.44 4.91 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 8.19 4.71 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 172 E 8.60 4.86 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 2.23 2.32 0.00 173 L 7.76 4.43 0.00 1.68 1.63 0.95 0.75 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 0.00 174 E 9.14 4.01 0.00 2.13 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 2.38 2.41 0.00 175 S 9.05 4.18 0.00 3.91 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 0.00 176 N 8.11 4.52 0.00 2.88 2.95 0.00 0.00 5.99 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 A 7.91 4.38 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 0.00 178 A 7.75 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 7.93 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 8.03 4.28 0.00 2.70 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 0.00 181 L 8.12 4.02 0.00 1.94 1.72 0.93 0.85 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 0.00 182 L 8.16 4.00 0.00 1.77 1.72 0.96 0.99 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 0.00 183 N 8.17 4.46 0.00 2.98 2.88 0.00 0.00 6.96 7.47 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 0.00 184 A 7.43 4.53 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 7.88 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 0.00 0.00 0.00 186 L 7.39 4.22 0.00 1.90 1.61 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 187 N 8.51 4.61 0.00 2.76 2.53 0.00 0.00 6.54 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.68 5.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 H 9.11 4.78 0.00 3.00 3.09 0.00 5.55 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 V 8.48 4.81 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 1.12 0.00 0.00 1.19 0.00 0.00 191 E 8.67 4.57 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.35 0.00 192 I 8.19 4.61 1.62 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.49 0.28 0.00 0.00 193 N 8.64 4.52 0.00 2.59 2.66 0.00 0.00 7.00 7.63 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 0.00 194 S 8.11 3.87 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 R 7.51 3.92 0.00 1.66 1.81 0.00 3.08 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 196 F 8.49 5.15 0.00 3.05 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 0.00 197 T 8.69 4.21 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 1.27 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.