NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3612 8.3149 120.0848 55.6493 34.7808 175.1722 4 I 4.2868 7.4577 121.0151 58.5037 39.3411 173.0301 5 R 5.5967 8.5692 127.6301 53.7232 33.6357 174.2871 6 I 4.7427 8.5709 119.2272 59.1629 40.1757 174.9574 7 K 4.2136 9.1899 129.0421 55.4413 33.0166 176.4794 8 L 4.7680 8.7784 127.4370 53.4288 42.9226 176.5610 9 R 4.9340 8.2792 123.2901 54.2142 33.3972 175.4945 10 G 4.1416 7.8955 106.8205 46.8989 0.0000 174.5883 11 F 4.8084 8.8655 118.3365 59.5561 39.7777 176.3687 12 D 4.7903 8.0349 120.7651 53.5353 41.7234 175.7251 13 H 4.5932 9.0666 121.9739 56.1121 29.1308 175.5727 14 K 4.3110 8.3264 119.0026 58.8961 34.1253 178.6279 15 T 3.9062 7.8061 109.2078 64.2822 68.9905 175.7617 16 L 3.8760 7.9177 123.4581 58.0586 41.8714 177.9742 17 D 4.2753 8.2987 114.9465 58.3503 41.0286 177.7544 18 A 4.0163 8.6053 120.8487 54.7863 18.5713 179.5244 19 S 4.0993 8.3733 110.9440 61.6958 62.9448 176.6925 20 A 4.1331 7.9349 124.1286 54.9145 16.4795 178.5169 21 Q 4.2775 9.0319 116.5442 56.9319 29.0434 177.2159 22 K 4.3427 8.5125 121.1404 59.1347 32.2319 178.0120 23 I 4.0698 7.3208 118.4792 62.7392 37.3668 177.7596 24 V 3.7581 7.6476 118.3441 64.8859 31.6583 175.9496 25 E 4.4970 7.6817 114.8755 56.7215 31.2273 176.5742 26 A 4.5873 7.7225 121.1025 52.1928 18.5170 178.0251 27 A 5.1815 8.2964 121.5278 54.3314 23.2050 180.0265 28 R 4.0875 8.0800 113.8359 58.9209 30.2927 177.5244 29 R 4.2674 7.8981 115.5370 56.7989 30.6738 176.3976 30 S 4.7765 8.3835 111.9169 57.9644 64.2218 171.5312 31 G 4.8622 8.5994 109.4275 45.1202 0.0000 175.7818 32 A 3.9067 8.4626 131.5799 50.9176 19.1229 176.3471 33 Q 4.6303 8.3482 116.6343 54.9897 30.8607 175.6018 34 V 5.3157 8.5393 120.8220 60.1302 35.2985 174.6771 35 S 4.6532 8.2051 118.2129 56.8745 64.3786 173.6316 36 G 3.8330 8.4646 113.2659 41.7573 0.0000 170.1667 37 P 4.4846 0.0000 0.0000 62.9173 32.0392 175.7381 38 I 4.2270 9.3181 121.0768 59.2271 39.1748 173.3692 39 P 5.2033 0.0000 0.0000 60.8518 31.6432 175.5906 40 L 4.5278 8.5110 125.6638 53.7256 41.9438 174.7523 41 P 4.0946 0.0000 0.0000 63.0028 31.4688 176.0649 42 T 4.1211 8.3892 118.0247 64.0694 69.6785 174.5511 43 R 4.5620 8.5394 121.8978 54.0703 31.2871 175.0419 44 V 4.0639 8.1325 122.3026 62.1353 32.7608 175.2148 45 R 4.8044 7.7484 123.4375 55.4639 29.9487 174.9426 46 R 3.8487 8.0454 117.9182 56.2540 31.7781 177.2397 47 F 4.7721 7.3653 113.0973 57.1106 40.7076 173.7057 48 T 4.7458 8.6412 122.7784 63.2399 70.1580 174.6527 49 V 4.3804 7.5779 120.5002 60.5072 35.0891 172.6485 50 I 4.0254 8.5009 119.5483 59.8874 37.7937 177.4740 51 R 4.2004 9.0555 124.8304 55.3152 29.5976 180.1337 52 G 3.6303 8.6084 111.5052 46.2956 0.0000 173.3251 53 P 4.2663 0.0000 0.0000 65.0443 32.2999 176.7881 54 F 4.2235 7.6512 118.3297 58.2468 38.2001 176.3890 55 K 4.0993 8.2763 125.0945 57.1412 33.8591 176.4454 56 H 4.8979 8.1677 126.5283 56.0687 29.6796 175.5830 57 K 4.1367 7.6068 117.5533 57.9114 32.9976 176.3579 58 D 4.5360 10.1098 118.7548 55.0957 44.6228 174.8863 59 S 3.6981 8.5049 110.2981 60.1895 62.5000 172.5181 60 R 4.3065 7.4261 126.6657 57.3481 30.5076 176.8525 61 E 4.4790 8.4526 122.8830 56.8718 32.9761 175.0867 62 H 4.9458 8.7996 122.8266 54.0888 31.3666 173.7381 63 F 5.3756 8.2121 118.6028 55.9860 42.5195 173.7919 64 E 4.3502 8.3248 115.4483 55.5087 32.5419 175.4891 65 L 4.3314 7.9466 121.9874 53.6249 43.0642 173.5439 66 R 4.3880 8.0183 119.3742 55.6206 30.1813 175.4947 67 T 4.5208 8.3956 120.2873 63.1766 69.3906 174.4262 68 H 5.0982 9.3121 124.8810 55.7773 30.7750 174.4767 69 N 5.2943 8.4733 115.7883 52.1327 43.5061 174.0249 70 R 4.5068 9.0569 123.1492 55.3837 33.6305 173.2979 71 L 5.1858 9.6738 130.2645 53.8047 44.5999 175.2346 72 V 4.8118 8.4034 122.9836 61.6435 35.7491 173.1307 73 D 5.6834 8.7054 124.5031 52.5691 45.1664 174.5644 74 I 4.6849 8.1484 112.2947 59.9403 40.4647 174.8601 75 I 3.9918 8.9949 121.8022 61.6107 37.2178 175.6621 76 N 4.5697 7.9365 134.1656 50.3491 38.3396 173.5450 77 P 4.5451 0.0000 0.0000 62.3984 30.1259 176.7306 78 N 4.8258 8.1821 130.4010 53.4355 39.0315 176.5779 79 R 4.0243 8.3926 112.7724 57.7887 30.8991 178.0709 80 K 4.1125 8.0459 118.5430 58.9387 32.4787 178.3128 81 T 4.1434 7.7573 109.9848 64.5105 68.9569 176.6545 82 I 3.6676 7.2180 123.5158 63.4576 37.2612 177.6029 83 E 3.9907 7.7590 118.5462 58.5070 29.6584 177.8567 84 Q 4.1919 7.9282 118.2701 58.8978 29.1836 175.4449 85 L 4.5601 7.3592 116.3390 55.4482 44.9343 179.7248 86 M 3.5021 7.5413 120.3606 58.3418 33.3291 178.2178 87 T 4.3829 7.6922 105.1114 61.4634 70.8233 174.4447 88 L 4.3516 7.7646 127.3500 53.8768 40.6099 175.6029 89 D 4.8062 7.4817 119.7375 54.2758 42.3929 177.6314 90 L 4.5685 7.8849 121.1142 52.9523 42.8307 174.0738 91 P 4.4609 0.0000 0.0000 62.6524 32.2578 175.6773 92 T 4.0483 8.6592 118.5071 64.4265 67.5848 175.8449 93 G 4.1299 7.6755 103.9045 45.5507 0.0000 172.2599 94 V 4.0523 7.5899 119.3107 61.9357 33.1836 174.5837 95 E 4.8339 8.9320 126.4639 54.1978 32.2110 174.5566 96 I 4.8778 8.3087 119.1099 59.2041 40.6059 174.6273 97 E 4.7407 8.8029 122.9964 54.9452 33.7777 174.4073 98 I 5.3271 8.3039 123.9343 58.5230 40.9153 174.6036 99 K 4.8887 8.4226 124.4686 55.5559 37.1867 174.4959 100 T 4.4770 8.2498 111.9407 61.8564 71.4976 174.9055 *101 V 3.9074 8.2079 118.2098 61.1262 32.4044 175.5616 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 3 K 8.31 4.36 0.00 1.66 1.94 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.69 7.81 4 I 7.46 4.29 1.87 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 1.11 1.63 0.91 0.00 0.00 5 R 8.57 5.60 0.00 1.84 1.74 0.00 3.07 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 6 I 8.57 4.74 1.86 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 0.53 0.91 0.00 0.00 7 K 9.19 4.21 0.00 1.66 1.80 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.55 7.81 8 L 8.78 4.77 0.00 1.69 1.61 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.28 4.93 0.00 1.74 1.95 0.00 3.33 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 10 G 7.90 4.14 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 0.00 0.00 0.00 11 F 8.87 4.81 0.00 3.04 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 12 D 8.03 4.79 0.00 2.79 2.60 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 13 H 9.07 4.59 0.00 3.24 3.39 0.00 5.52 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.33 4.31 0.00 2.08 1.78 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.17 1.22 7.81 15 T 7.81 3.91 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 1.27 0.00 0.00 16 L 7.92 3.88 0.00 1.72 2.05 0.95 1.17 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 17 D 8.30 4.28 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 18 A 8.61 4.02 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 19 S 8.37 4.10 0.00 4.07 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 0.00 20 A 7.93 4.13 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 21 Q 9.03 4.28 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 22 K 8.51 4.34 0.00 1.81 1.84 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.61 7.81 23 I 7.32 4.07 2.01 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 1.40 0.67 0.91 0.00 0.00 24 V 7.65 3.76 2.25 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 0.87 0.00 0.00 0.98 0.00 0.00 25 E 7.68 4.50 0.00 2.02 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 2.22 2.21 0.00 26 A 7.72 4.59 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 27 A 8.30 5.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.09 0.00 1.81 2.00 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 29 R 7.90 4.27 0.00 1.76 1.93 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 30 S 8.38 4.78 0.00 4.10 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 31 G 8.60 4.86 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 0.00 0.00 0.00 32 A 8.46 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 4.63 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 34 V 8.54 5.32 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 1.11 0.00 0.00 0.93 0.00 0.00 35 S 8.21 4.65 0.00 3.87 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 36 G 8.46 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 0.00 0.00 0.00 37 P 0.00 4.48 0.00 1.94 2.07 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 38 I 9.32 4.23 1.87 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 1.44 0.83 0.97 0.00 0.00 39 P 0.00 5.20 0.00 2.09 2.12 0.00 3.36 0.00 0.00 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 40 L 8.51 4.53 0.00 1.68 1.71 0.93 0.69 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 41 P 0.00 4.09 0.00 2.20 2.15 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 42 T 8.39 4.12 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 1.31 0.00 0.00 43 R 8.54 4.56 0.00 1.76 1.84 0.00 3.30 0.00 0.00 3.11 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 44 V 8.13 4.06 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 0.72 0.00 0.00 0.91 0.00 0.00 45 R 7.75 4.80 0.00 1.83 1.92 0.00 3.56 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 46 R 8.05 3.85 0.00 1.58 1.84 0.00 3.21 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 47 F 7.37 4.77 0.00 3.17 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 48 T 8.64 4.75 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 1.11 0.00 0.00 49 V 7.58 4.38 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 0.57 0.00 0.00 0.93 0.00 0.00 50 I 8.50 4.03 1.86 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 1.33 0.84 0.85 0.00 0.00 51 R 9.06 4.20 0.00 1.83 1.50 0.00 3.24 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 1.61 1.64 0.00 52 G 8.61 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 53 P 0.00 4.27 0.00 2.28 2.25 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 54 F 7.65 4.22 0.00 2.99 2.88 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 55 K 8.28 4.10 0.00 1.61 1.36 0.00 1.13 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 1.19 7.81 56 H 8.17 4.90 0.00 3.17 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.61 4.14 0.00 1.72 1.82 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 58 D 10.11 4.54 0.00 2.60 2.54 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 0.00 59 S 8.50 3.70 0.00 4.03 4.10 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 60 R 7.43 4.31 0.00 1.74 1.84 0.00 3.16 0.00 0.00 3.19 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 61 E 8.45 4.48 0.00 1.97 1.61 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 1.80 2.17 0.00 62 H 8.80 4.95 0.00 3.02 3.14 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.21 5.38 0.00 2.76 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 64 E 8.32 4.35 0.00 1.77 1.72 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 2.11 2.19 0.00 65 L 7.95 4.33 0.00 1.61 1.43 0.28 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.02 4.39 0.00 1.59 1.77 0.00 3.36 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 67 T 8.40 4.52 4.53 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 1.26 0.00 0.00 68 H 9.31 5.10 0.00 3.40 3.23 0.00 5.61 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 69 N 8.47 5.29 0.00 2.80 2.65 0.00 0.00 6.21 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 70 R 9.06 4.51 0.00 1.85 1.81 0.00 3.07 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 71 L 9.67 5.19 0.00 1.68 1.59 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.40 4.81 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 0.92 0.00 0.00 0.93 0.00 0.00 73 D 8.71 5.68 0.00 2.57 2.51 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 74 I 8.15 4.68 1.87 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 1.44 0.83 0.91 0.00 0.00 75 I 8.99 3.99 1.87 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 1.31 0.59 0.94 0.00 0.00 76 N 7.94 4.57 0.00 2.68 2.80 0.00 0.00 6.97 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 77 P 0.00 4.55 0.00 2.21 2.08 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 78 N 8.18 4.83 0.00 2.75 2.95 0.00 0.00 6.80 7.54 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 79 R 8.39 4.02 0.00 1.83 2.00 0.00 3.29 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 80 K 8.05 4.11 0.00 1.73 1.94 0.00 1.78 0.00 0.00 1.94 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 81 T 7.76 4.14 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 1.29 0.00 0.00 82 I 7.22 3.67 1.87 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 1.61 1.08 0.91 0.00 0.00 83 E 7.76 3.99 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 84 Q 7.93 4.19 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 85 L 7.36 4.56 0.00 1.76 1.49 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.54 3.50 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 87 T 7.69 4.38 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 1.21 0.00 0.00 88 L 7.76 4.35 0.00 1.69 1.71 0.92 1.25 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 89 D 7.48 4.81 0.00 2.70 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 90 L 7.88 4.57 0.00 1.56 1.60 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.46 0.00 2.31 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 92 T 8.66 4.05 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 1.22 0.00 0.00 93 G 7.68 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.59 4.05 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 0.80 0.00 0.00 0.95 0.00 0.00 95 E 8.93 4.83 0.00 1.99 1.65 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 2.12 2.21 0.00 96 I 8.31 4.88 1.86 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 1.33 1.11 0.90 0.00 0.00 97 E 8.80 4.74 0.00 2.01 1.81 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 2.20 2.40 0.00 98 I 8.30 5.33 1.86 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 1.35 1.73 0.91 0.00 0.00 99 K 8.42 4.89 0.00 1.61 1.66 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.35 7.81 100 T 8.25 4.48 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 1.23 0.00 0.00 *101 V 8.21 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.