NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4752 8.3049 118.1928 54.0320 31.9382 175.6318 2 P 4.1634 0.0000 0.0000 61.8564 30.4672 174.6145 3 P 4.8753 0.0000 0.0000 65.4929 31.5642 177.8439 4 S 4.1294 8.1114 111.7031 61.0981 62.3427 175.4613 5 L 4.1184 9.4087 123.0475 57.4129 41.9481 178.4942 6 R 4.1828 8.0599 118.3373 59.1197 29.8587 178.2157 7 K 4.1719 7.8736 117.0365 58.7209 32.2478 178.9248 8 A 3.9959 7.6074 120.3437 54.9787 18.5898 179.6727 9 V 3.5191 7.9773 116.4677 66.1951 31.7525 177.8619 10 A 4.0160 7.9124 119.8816 55.5184 17.9334 179.3956 11 A 4.0983 8.1567 117.5168 54.3968 18.6738 178.8769 12 A 4.2599 8.2810 119.0976 53.7468 19.2056 179.2903 13 I 3.5570 7.2574 117.6884 64.6366 36.9046 178.5580 14 G 3.7462 8.1053 104.9093 46.9425 0.0000 174.7265 15 G 3.9218 8.0769 106.1086 44.4617 0.0000 174.4674 16 G 3.7842 8.1946 109.7206 44.5645 0.0000 173.9052 17 A 3.8251 8.7156 119.4561 55.4862 18.0087 180.1606 18 I 3.8253 7.8546 117.2601 64.5219 37.1672 178.3156 19 A 3.9833 7.9486 121.0951 55.1471 18.3297 179.5934 20 I 3.5015 7.8302 117.9971 64.3594 37.1282 178.3055 21 A 4.0526 8.2407 121.9454 55.5908 18.1558 179.7570 22 S 3.9082 8.0346 113.4002 61.6840 62.9496 177.3195 23 V 3.5119 7.4322 120.6495 66.0721 31.1170 178.1927 24 L 4.0402 7.4866 116.8559 57.7632 41.4565 179.2525 25 I 3.8994 7.6437 119.3101 63.7531 37.2325 177.3011 26 T 4.2860 7.7968 111.2761 60.8325 67.8422 174.9806 27 G 3.7862 7.3113 109.2676 45.7075 0.0000 171.9324 28 P 4.4408 0.0000 0.0000 62.7349 31.8501 175.6462 29 S 4.7435 8.1771 113.2961 57.5627 66.7269 175.4958 30 G 3.9015 8.7958 109.9902 46.6164 0.0000 175.0579 31 N 4.4397 8.8689 117.2594 55.1198 38.0556 172.4450 32 D 4.8402 7.7877 116.7421 52.1605 41.7572 176.4296 33 G 4.0831 8.5072 107.9817 45.5704 0.0000 172.9020 34 L 4.6307 8.1149 122.2889 53.2280 43.1540 177.6926 35 E 4.0692 9.0056 119.6868 57.0826 30.0284 174.6856 36 G 4.1135 8.1467 105.8145 46.1274 0.0000 173.9554 37 V 3.6247 7.7338 117.1559 61.1314 32.3836 175.0244 38 S 4.5427 8.2756 116.3915 57.2856 63.4188 174.0538 39 Y 4.4958 8.5308 124.0488 58.3752 38.5585 174.6474 40 I 5.5913 7.4010 120.3118 57.7143 39.8112 173.8468 41 P 4.9194 0.0000 0.0000 63.3608 31.9966 175.0949 42 Y 5.2408 8.8408 119.9812 55.2224 42.1629 174.0575 43 K 3.7629 8.2058 122.3166 54.9915 32.8378 176.3642 44 D 4.8296 8.2778 128.7670 52.3636 40.5622 177.0554 45 I 3.6279 8.2886 111.8217 63.5506 37.3915 176.9958 46 V 4.1319 7.7943 112.7117 61.0767 31.7032 176.4026 47 G 3.6527 8.1690 106.7869 45.5721 0.0000 173.7292 48 V 4.1387 8.2182 120.5881 60.2824 33.3029 175.2646 49 W 4.5041 8.6515 128.2358 57.4603 29.5106 175.5377 50 T 4.9797 8.5778 120.9866 62.0728 72.6141 173.0446 51 V 4.4789 8.6701 120.9164 61.2221 34.8184 173.8116 52 C 3.6807 8.6027 118.8862 58.9786 39.3217 175.5341 53 H 4.4884 8.5589 118.4241 56.5450 27.6430 175.5056 54 G 3.9082 8.0710 102.0048 46.3108 0.0000 172.5412 55 H 4.3224 8.5217 120.5293 55.7938 30.3498 174.4900 56 T 4.8724 8.8654 115.4804 59.2526 71.9500 172.5092 57 G 4.3854 8.2122 109.0905 44.0495 0.0000 174.3749 58 K 4.0025 8.2015 121.0947 59.0632 31.8247 178.2296 59 D 4.5489 8.0380 117.0373 54.5870 39.6775 176.1358 60 I 4.0136 7.5280 122.2883 61.6162 37.7201 175.2431 61 M 4.4813 8.9521 124.9785 53.3419 32.7607 176.7951 62 L 3.6652 8.5221 125.1989 57.6370 41.8771 179.2281 63 G 3.6817 7.8516 105.7399 47.3163 0.0000 173.6373 64 K 4.0464 8.1761 122.7255 56.7129 33.4829 176.3171 65 T 4.7273 8.3382 124.0830 62.1497 68.5988 173.6110 66 Y 4.4505 9.3169 125.0966 57.9081 38.8091 176.5899 67 T 4.2245 9.5950 114.1677 60.7370 70.3910 175.8000 68 K 4.0627 8.6737 121.2481 59.8347 31.8740 179.3570 69 A 4.0627 7.9783 120.3388 55.2343 18.3174 179.4106 70 E 3.9856 8.2411 116.8102 59.7883 29.5839 178.9144 71 C 4.3147 8.4517 116.6807 59.7254 40.8937 176.0803 72 K 3.9198 8.2917 121.0173 59.4562 31.7635 178.6241 73 A 4.0130 8.2428 121.1767 55.2607 18.2574 179.5531 74 L 3.8837 8.1111 117.5095 57.7782 41.5849 179.5320 75 L 3.9778 8.0094 120.1504 58.3630 42.0936 178.8259 76 N 4.2868 8.2213 116.3889 56.1238 38.4643 177.4326 77 K 3.9591 8.3622 121.3026 59.4765 32.2928 178.6153 78 D 4.4054 8.4978 119.6227 57.5682 40.7467 178.9200 79 L 3.8950 8.2986 119.4276 57.4874 41.5388 179.3690 80 A 3.8291 8.0130 120.8957 55.3050 18.2827 179.8234 81 T 3.7299 7.9045 114.1963 66.6224 68.4831 176.7463 82 V 3.4096 7.7333 119.9637 66.0146 31.3703 177.6596 83 A 3.7472 7.4778 120.2024 55.2878 17.9440 179.4090 84 R 3.8201 7.6791 115.4998 59.8749 30.1563 178.3071 85 Q 4.2570 8.0027 116.6619 57.5758 29.0799 177.3076 86 I 4.4261 7.8478 113.1696 61.8691 38.9655 177.5656 87 N 4.4356 8.5480 118.9108 55.8423 38.2078 175.0361 88 P 4.4702 0.0000 0.0000 64.4028 31.5418 177.0938 89 Y 4.3999 8.1938 115.0075 57.6914 38.3716 175.2910 90 I 4.3567 7.4458 121.3494 60.2478 37.5463 175.6646 91 K 4.3910 9.3451 125.3181 56.3379 33.0026 176.7558 92 V 4.4428 7.4453 110.9972 59.0156 34.4421 174.3591 93 D 4.6462 8.4015 121.0315 53.7451 41.7929 175.4535 94 I 4.7385 7.8710 118.1404 57.4858 40.9612 173.8728 95 P 4.4290 0.0000 0.0000 62.5714 33.1153 177.6466 96 E 3.8666 8.6255 119.8802 59.6540 29.4125 179.8526 97 T 3.6165 7.6362 109.5843 64.7735 68.8304 176.2600 98 M 3.9535 7.8184 120.5528 58.3754 32.4821 177.8502 99 R 3.7532 8.0814 119.1733 59.3641 30.0894 178.7323 100 G 3.2633 8.1164 105.4988 47.5040 0.0000 175.4856 101 A 4.0326 7.9121 123.2856 55.0394 18.3538 179.7882 102 L 4.1081 8.0304 117.4057 58.0353 41.6263 179.2841 103 Y 4.2917 7.9266 116.8208 61.1414 37.7723 178.5955 104 S 4.1123 8.2119 114.0261 61.2910 62.5113 175.8652 105 F 4.6449 8.4939 123.4345 61.6818 39.1904 177.3697 106 V 3.0710 8.1994 118.1455 65.7611 31.0135 177.1548 107 Y 4.1364 8.2541 119.1297 60.1103 38.5010 177.3430 108 N 4.4401 7.4169 115.5043 55.9097 39.6660 176.7958 109 V 3.9812 7.3909 110.7463 60.4381 32.7158 177.3489 110 G 3.8520 7.7349 105.7041 45.5724 0.0000 174.4936 111 A 4.0059 8.4609 122.8480 54.6850 18.2925 180.5455 112 G 3.5315 7.9433 103.8021 48.2059 0.0000 175.4980 113 N 4.4934 8.0292 117.5636 55.7764 38.8691 176.8024 114 F 4.1010 8.0033 122.0509 61.4262 39.2718 177.5085 115 R 3.8118 8.3008 117.0960 58.4672 29.8040 178.0910 116 T 4.4383 7.2968 106.8891 60.7835 69.5518 175.5019 117 S 4.6256 7.2998 117.9427 58.7499 65.4415 175.3283 118 T 3.9811 8.6029 120.3744 66.3854 68.3000 176.4977 119 L 3.9150 8.1417 122.1747 58.3104 42.1058 178.7061 120 L 3.7517 7.6652 119.7970 58.0692 41.7057 178.9352 121 R 3.9332 7.2885 115.4524 59.4137 30.4328 178.8283 122 K 4.1135 7.9671 117.8263 59.3554 32.0053 179.1565 123 I 3.7116 7.6442 119.9686 64.8259 36.9875 177.9349 124 N 4.6709 7.8730 113.5484 54.8975 38.5586 176.2444 125 Q 4.4629 7.8575 119.9175 55.4577 28.7758 177.8784 126 G 4.0076 8.1220 109.5107 46.5782 0.0000 175.4831 127 D 4.6239 7.5159 119.8360 53.3914 39.2597 176.2600 128 I 3.8144 8.0260 121.6376 64.1569 38.1211 178.9572 129 K 4.1153 8.0714 125.5670 59.1712 31.6337 180.8255 130 G 4.0022 9.1166 108.7290 47.0404 0.0000 175.6611 131 A 4.0201 7.6274 121.7088 55.1393 18.8561 178.7137 132 C 4.3441 8.2151 115.0559 60.3740 36.5491 176.1916 133 D 4.2459 8.2589 120.3832 57.2738 40.3249 178.6590 134 Q 4.1389 7.9144 118.0264 58.5883 28.6147 178.6828 135 L 3.8195 7.7874 119.9625 57.6376 41.3696 179.0865 136 R 4.2186 7.8127 116.1612 57.8345 30.0924 178.0176 137 R 4.1891 7.9679 117.1008 56.2828 30.5024 176.5345 138 W 4.6903 7.8934 119.5318 56.4359 29.8355 177.0787 139 T 4.2072 8.1361 110.0160 62.7323 68.8534 174.4101 140 Y 3.3287 8.8545 117.2787 58.8852 35.3157 170.3083 141 A 3.8295 8.0224 121.2944 52.5362 17.6685 179.9130 *149 L 4.3897 7.6801 114.7187 54.2985 43.9129 178.5432 150 M 4.0958 8.1857 120.3220 58.8648 31.9489 178.5542 151 T 4.0322 7.8922 109.3130 64.4049 69.2294 176.4122 152 R 3.9103 8.0893 121.1596 59.6376 30.1184 178.5776 153 R 4.0498 8.1116 117.6360 59.2202 30.0087 178.8979 154 E 4.0179 8.1373 118.0456 59.3731 29.4370 179.4965 155 I 3.7101 7.7905 119.7196 64.6025 37.2220 178.2332 156 E 4.0185 8.2933 119.3501 59.5394 29.2731 179.6183 157 R 3.8877 8.1947 118.6460 59.3192 29.9461 178.3490 158 E 3.9918 7.9760 117.3593 59.6284 29.8053 179.1377 159 I 4.1353 7.8851 119.7758 64.5920 36.9383 177.4483 160 C 4.1958 8.1442 118.3990 59.5766 43.4934 174.9880 161 L 4.1743 7.8068 117.5610 55.2699 41.6611 177.9697 162 W 4.4720 7.9319 127.8473 59.6922 31.4765 176.7986 163 G 4.1099 8.2967 114.5936 43.2056 0.0000 173.1448 164 Q 4.3617 8.3119 125.6196 56.8346 29.5468 173.1397 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 8.30 4.48 0.00 2.50 2.19 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 P 0.00 4.16 0.00 2.29 2.09 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 3 P 0.00 4.88 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 4 S 8.11 4.13 0.00 3.90 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 5 L 9.41 4.12 0.00 1.83 1.81 0.94 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 6 R 8.06 4.18 0.00 2.00 2.13 0.00 3.09 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 7 K 7.87 4.17 0.00 2.07 1.86 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.67 7.81 8 A 7.61 4.00 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 9 V 7.98 3.52 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 0.28 0.00 0.00 0.96 0.00 0.00 10 A 7.91 4.02 1.60 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 11 A 8.16 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.28 4.26 1.30 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 0.00 0.00 0.00 13 I 7.26 3.56 1.75 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.48 0.78 0.00 0.00 14 G 8.11 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 0.00 0.00 0.00 15 G 8.08 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 16 G 8.19 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 0.00 0.00 0.00 17 A 8.72 3.83 1.15 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 18 I 7.85 3.83 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.12 0.90 0.00 0.00 19 A 7.95 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.83 3.50 1.86 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.84 0.74 0.00 0.00 21 A 8.24 4.05 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 S 8.03 3.91 0.00 4.00 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 23 V 7.43 3.51 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 1.01 0.00 0.00 0.99 0.00 0.00 24 L 7.49 4.04 0.00 1.80 1.73 0.92 0.88 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 25 I 7.64 3.90 1.63 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.41 0.61 0.00 0.00 26 T 7.80 4.29 3.93 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 1.22 0.00 0.00 27 G 7.31 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 28 P 0.00 4.44 0.00 2.20 2.09 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 29 S 8.18 4.74 0.00 3.96 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 30 G 8.80 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.87 4.44 0.00 2.76 2.74 0.00 0.00 6.48 8.06 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 32 D 7.79 4.84 0.00 2.76 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 33 G 8.51 4.08 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 0.00 34 L 8.11 4.63 0.00 1.74 1.62 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.01 4.07 0.00 1.99 1.86 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 2.23 1.87 0.00 36 G 8.15 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 37 V 7.73 3.62 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 0.67 0.00 0.00 0.12 0.00 0.00 38 S 8.28 4.54 0.00 3.79 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 39 Y 8.53 4.50 0.00 3.15 3.22 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 40 I 7.40 5.59 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 1.03 0.00 0.00 41 P 0.00 4.92 0.00 2.00 2.09 0.00 3.76 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 42 Y 8.84 5.24 0.00 3.06 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 43 K 8.21 3.76 0.00 0.79 1.22 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.33 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.94 0.61 7.81 44 D 8.28 4.83 0.00 2.93 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 45 I 8.29 3.63 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.91 0.00 0.00 46 V 7.79 4.13 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 0.68 0.00 0.00 0.89 0.00 0.00 47 G 8.17 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 48 V 8.22 4.14 2.22 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 0.94 0.00 0.00 0.83 0.00 0.00 49 W 8.65 4.50 0.00 3.19 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 50 T 8.58 4.98 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 51 V 8.67 4.48 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 0.27 0.00 0.00 0.75 0.00 0.00 52 C 8.60 3.68 0.00 2.99 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 53 H 8.56 4.49 0.00 3.15 3.25 0.00 5.74 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 54 G 8.07 3.91 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 0.00 0.00 0.00 55 H 8.52 4.32 0.00 3.21 3.28 0.00 5.72 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 56 T 8.87 4.87 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 1.04 0.00 0.00 57 G 8.21 4.39 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 0.00 58 K 8.20 4.00 0.00 1.73 1.89 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 59 D 8.04 4.55 0.00 2.87 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 60 I 7.53 4.01 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.90 0.00 0.00 61 M 8.95 4.48 0.00 2.02 1.98 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 2.74 2.46 0.00 62 L 8.52 3.67 0.00 1.38 1.39 0.38 -0.77 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 63 G 7.85 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 64 K 8.18 4.05 0.00 1.81 1.79 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.27 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.86 1.16 7.81 65 T 8.34 4.73 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 1.28 0.00 0.00 66 Y 9.32 4.45 0.00 2.94 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 67 T 9.60 4.22 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 1.21 0.00 0.00 68 K 8.67 4.06 0.00 1.82 1.97 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.42 7.81 69 A 7.98 4.06 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 70 E 8.24 3.99 0.00 2.41 2.24 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 2.37 2.38 0.00 71 C 8.45 4.31 0.00 3.29 3.12 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 72 K 8.29 3.92 0.00 2.02 2.10 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 73 A 8.24 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.11 3.88 0.00 1.84 1.61 0.60 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.01 3.98 0.00 1.90 1.84 0.59 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.22 4.29 0.00 2.91 2.84 0.00 0.00 6.73 6.64 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 77 K 8.36 3.96 0.00 1.81 1.91 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 78 D 8.50 4.41 0.00 3.11 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 79 L 8.30 3.90 0.00 1.58 1.53 0.83 0.89 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 80 A 8.01 3.83 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 81 T 7.90 3.73 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 1.16 0.00 0.00 82 V 7.73 3.41 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 0.92 0.00 0.00 0.96 0.00 0.00 83 A 7.48 3.75 1.05 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 0.00 0.00 84 R 7.68 3.82 0.00 2.01 2.03 0.00 3.25 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 1.64 1.68 0.00 85 Q 8.00 4.26 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 86 I 7.85 4.43 1.35 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.66 0.56 0.00 0.00 87 N 8.55 4.44 0.00 2.90 2.99 0.00 0.00 6.87 7.79 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 88 P 0.00 4.47 0.00 1.90 2.05 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 89 Y 8.19 4.40 0.00 3.39 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 90 I 7.45 4.36 2.12 0.00 0.00 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 1.58 0.95 1.04 0.00 0.00 91 K 9.35 4.39 0.00 1.90 1.86 0.00 1.56 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.43 7.81 92 V 7.45 4.44 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 0.73 0.00 0.00 1.01 0.00 0.00 93 D 8.40 4.65 0.00 2.63 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 94 I 7.87 4.74 1.87 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 1.43 0.82 0.94 0.00 0.00 95 P 0.00 4.43 0.00 2.17 2.02 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 96 E 8.63 3.87 0.00 1.87 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 2.35 2.26 0.00 97 T 7.64 3.62 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 0.40 0.00 0.00 98 M 7.82 3.95 0.00 2.21 2.21 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 2.67 2.59 0.00 99 R 8.08 3.75 0.00 1.74 1.72 0.00 3.01 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.41 0.00 100 G 8.12 3.26 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 0.00 101 A 7.91 4.03 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 0.00 102 L 8.03 4.11 0.00 1.81 1.72 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.93 4.29 0.00 3.06 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 0.00 104 S 8.21 4.11 0.00 3.92 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 0.00 105 F 8.49 4.64 0.00 3.20 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 0.00 106 V 8.20 3.07 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 0.67 0.00 0.00 0.50 0.00 0.00 107 Y 8.25 4.14 0.00 3.02 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 7.42 4.44 0.00 2.88 3.00 0.00 0.00 7.17 7.59 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 0.00 109 V 7.39 3.98 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 0.82 0.00 0.00 -0.22 0.00 0.00 110 G 7.73 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 0.00 0.00 0.00 111 A 8.46 4.01 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 0.00 112 G 7.94 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.03 4.49 0.00 2.84 2.74 0.00 0.00 6.83 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 0.00 114 F 8.00 4.10 0.00 2.91 3.06 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 0.00 115 R 8.30 3.81 0.00 1.76 1.73 0.00 2.99 0.00 0.00 2.92 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.54 0.00 116 T 7.30 4.44 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 0.00 117 S 7.30 4.63 0.00 4.33 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 0.00 118 T 8.60 3.98 4.46 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 1.22 0.00 0.00 119 L 8.14 3.91 0.00 1.78 1.64 0.65 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.67 3.75 0.00 0.87 1.47 1.08 0.83 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 0.00 121 R 7.29 3.93 0.00 2.02 1.99 0.00 3.23 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 1.67 1.83 0.00 122 K 7.97 4.11 0.00 1.98 2.00 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 123 I 7.64 3.71 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.98 0.00 0.00 124 N 7.87 4.67 0.00 2.75 2.90 0.00 0.00 7.14 7.32 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 0.00 125 Q 7.86 4.46 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.67 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 126 G 8.12 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 0.00 127 D 7.52 4.62 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.03 3.81 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 1.51 0.59 0.93 0.00 0.00 129 K 8.07 4.12 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.07 7.81 130 G 9.12 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 0.00 0.00 0.00 131 A 7.63 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 C 8.22 4.34 0.00 3.15 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 0.00 133 D 8.26 4.25 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.91 4.14 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 135 L 7.79 3.82 0.00 1.77 1.63 0.86 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.81 4.22 0.00 1.95 1.99 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 137 R 7.97 4.19 0.00 1.67 1.56 0.00 3.10 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.97 0.00 138 W 7.89 4.69 0.00 3.56 3.51 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 0.00 139 T 8.14 4.21 4.33 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 1.30 0.00 0.00 140 Y 8.85 3.33 0.00 3.22 3.15 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 0.00 141 A 8.02 3.83 1.47 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 0.00 0.00 *149 L 7.68 4.39 0.00 2.18 1.95 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 150 M 8.19 4.10 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 151 T 7.89 4.03 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 152 R 8.09 3.91 0.00 1.97 2.24 0.00 3.26 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 153 R 8.11 4.05 0.00 2.10 2.03 0.00 3.64 0.00 0.00 3.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 154 E 8.14 4.02 0.00 2.19 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 2.54 2.52 0.00 155 I 7.79 3.71 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 1.56 0.58 0.95 0.00 0.00 156 E 8.29 4.02 0.00 2.19 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 2.40 2.57 0.00 157 R 8.19 3.89 0.00 1.95 2.11 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 158 E 7.98 3.99 0.00 2.19 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 2.68 0.00 159 I 7.89 4.14 1.91 0.00 0.00 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 1.73 0.86 0.89 0.00 0.00 160 C 8.14 4.20 0.00 3.18 3.37 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 0.00 161 L 7.81 4.17 0.00 1.86 1.72 0.93 0.93 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 0.00 162 W 7.93 4.47 0.00 3.57 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 0.00 163 G 8.30 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 0.00 164 Q 8.31 4.36 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.