NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2622 8.4145 122.1404 54.9493 33.3606 175.8745 5 R 4.4415 8.5839 113.3056 57.6027 29.6101 171.3055 6 N 5.1290 7.9269 116.1701 53.0093 40.0520 180.6456 7 V 4.6633 7.3839 113.4630 61.6872 33.8973 175.6261 8 E 4.6286 8.1161 119.1805 56.3725 33.1586 178.8011 9 L 4.6621 8.1175 117.5536 54.8876 42.3990 180.9009 10 L 4.7370 7.8188 113.4509 54.6432 43.4561 182.5757 11 A 4.5014 8.1852 119.6594 53.9165 19.4107 177.9985 12 T 4.6846 7.7525 110.2718 60.5011 69.6168 181.2455 13 L 4.6962 8.0371 120.2378 55.9453 44.4665 179.3965 14 K 4.4915 8.2130 121.7850 56.4081 33.2996 182.1616 15 E 4.7050 8.2925 111.8812 56.3353 32.1838 180.4984 16 N 5.1352 8.8048 116.3879 51.6541 38.2622 181.2951 17 L 5.8884 6.9887 133.9818 56.2910 43.1470 176.4583 18 E 4.8149 7.9850 114.5101 57.0367 31.9072 182.2422 19 R 4.8259 7.6022 116.1377 55.1819 31.1047 176.5470 20 A 4.6942 7.8626 128.7697 53.3177 26.3000 177.4045 21 Q 4.7253 8.0005 110.9639 53.0211 32.1979 175.6163 22 G 4.1734 7.9837 106.5147 46.3922 0.0000 171.2475 23 S 3.9939 8.6974 115.5114 58.6909 58.0421 165.0000 *24 F 5.0490 7.7767 125.5497 56.0107 42.0503 176.5194 *25 F 4.6062 8.9144 126.4970 55.6237 40.5914 171.8890 26 L 4.7219 7.8336 121.1891 55.2187 42.8654 176.4606 27 V 4.8422 8.3516 125.0199 57.7458 33.8924 172.0331 28 N 4.3729 8.5113 128.2213 53.1265 37.6744 172.7275 *29 Y 4.4042 8.4256 127.2399 57.1343 37.9313 174.6339 30 Q 4.5774 7.6830 118.0261 53.7675 27.9864 179.9768 31 G 4.2289 7.4793 107.1216 44.9836 0.0000 170.8874 32 L 4.5015 7.5240 120.2968 54.1875 46.1159 176.1297 33 P 5.0086 0.0000 0.0000 64.1277 31.1640 172.5526 34 A 4.4373 8.8181 119.6317 56.3223 19.7681 179.3581 35 K 4.1326 8.0623 117.8887 57.3388 32.6291 179.5824 36 E 4.5543 8.0109 117.0429 55.8992 29.0015 182.5695 37 T 4.6053 7.3302 108.6363 61.6666 70.0768 176.3990 *38 H 4.9147 8.4706 116.4941 54.7741 29.9921 176.1844 39 A 4.7639 8.1430 121.2410 53.2241 20.0430 177.0438 40 L 4.7716 8.0186 115.4058 54.0607 43.3567 182.8675 41 R 4.7342 7.8188 115.8449 57.1005 30.4805 182.3064 42 Q 4.6458 7.8068 113.0728 55.1997 29.5552 178.6175 43 A 4.4981 8.1659 120.2750 54.4974 23.2341 178.6354 44 L 4.4564 7.8130 121.1885 52.9394 40.0935 183.7288 45 K 4.6796 7.3502 124.4222 54.2380 33.1298 178.6785 46 Q 4.5561 8.0071 118.4674 55.6242 28.6295 178.5294 47 N 4.6152 7.1991 111.5235 51.8301 39.3070 177.7587 48 G 3.9044 7.7347 107.2630 46.1149 0.0000 172.6197 49 A 4.4523 8.3922 124.6358 51.5029 21.3772 177.8390 50 R 4.3423 8.3418 115.9032 56.0955 28.8691 174.2541 51 L 4.7620 7.1906 120.6024 53.0592 42.9001 179.7680 *52 F 4.8712 7.3790 117.1930 56.8326 41.9962 176.6117 53 V 3.8513 8.1663 126.1698 61.4566 30.1330 178.5852 54 A 4.8152 8.7164 120.2786 53.7413 21.5016 179.3639 55 K 4.2270 8.8349 121.9501 60.5797 30.6511 182.3612 56 N 4.3720 7.3061 121.6825 55.0906 35.8753 177.9667 57 T 3.9021 8.4878 119.7541 60.8380 69.0461 174.2212 58 L 4.0041 7.1535 123.0818 53.4601 40.4142 179.8459 59 I 3.7053 7.9080 115.1673 63.3417 35.6642 174.7423 60 R 4.2913 8.8583 118.6408 57.7612 27.6413 177.9154 61 L 4.6150 7.2389 112.1809 55.2021 41.8295 183.0453 62 A 4.6773 7.8033 118.6200 54.2933 21.3265 177.0784 63 L 4.7502 8.0738 118.2302 54.9710 43.5890 182.6083 64 K 4.7745 8.1669 117.0347 55.2461 33.6359 182.1361 65 E 4.7767 8.3467 115.5576 56.8440 32.0579 180.4596 66 L 4.9477 7.9814 115.6759 54.5231 42.6227 182.7773 67 G 4.1811 8.3548 107.1046 46.6737 0.0000 174.8494 68 L 4.5897 7.8835 117.4059 54.3894 44.7312 179.4007 69 P 4.7578 0.0000 0.0000 63.2195 31.8513 181.1989 70 E 4.4080 8.6805 115.0450 57.2644 27.6636 180.6850 71 L 4.6192 7.0998 120.0414 55.8678 41.2724 182.7418 72 D 4.6543 7.9896 120.4936 54.4117 40.8001 178.4666 73 G 4.6473 8.8463 104.7590 49.0186 0.0000 174.5542 74 L 4.8221 7.5856 117.0330 54.2826 42.8844 180.7565 75 Q 4.4511 8.1933 117.3228 56.1836 27.5323 180.8492 76 G 3.9290 8.2111 111.9181 46.8316 0.0000 174.1501 77 P 4.8558 0.0000 0.0000 62.5150 31.9266 180.3531 78 S 4.7466 7.8283 113.7723 58.7112 63.3149 178.4046 79 A 4.0645 8.1143 130.4836 54.1972 22.8817 177.4837 80 V 3.1684 7.8267 113.1946 62.7637 32.8347 173.4120 81 V 4.1255 8.3984 124.7076 61.6795 32.5217 173.9342 *82 F 4.6001 8.6179 127.5009 55.1671 37.9245 172.3769 *83 Y 4.2307 8.3556 128.3716 55.7903 38.3350 174.9413 84 E 4.2275 8.5172 113.5379 56.5637 28.8812 178.6007 85 D 4.8774 8.2084 116.9593 53.3971 41.7647 175.5292 86 P 4.3593 0.0000 0.0000 63.0633 31.3339 176.3337 87 V 4.6834 8.4236 115.0859 59.9107 33.8175 173.7473 88 A 4.8802 7.6181 122.3627 54.7028 19.1916 178.7823 89 A 4.2780 7.6930 120.1388 50.7185 18.9156 178.0811 90 A 5.1784 7.8566 130.7077 53.4484 20.4930 177.9696 91 K 4.6353 7.9426 123.5985 54.9652 32.1899 179.6667 92 T 4.3557 7.9318 120.8254 59.3918 67.1616 170.9154 93 L 4.5625 8.3314 128.6740 56.0275 42.8555 178.7101 94 V 3.9196 7.8441 116.5256 62.5254 32.1608 178.9711 95 Q 4.8156 7.9342 119.0629 55.3716 28.7265 181.9109 *96 F 4.8350 7.9359 116.2903 58.7189 45.0018 177.2489 97 A 4.4614 7.7864 124.3559 52.5069 18.2380 178.0231 98 K 4.6750 8.0220 119.6434 56.1287 33.7150 181.5036 99 S 4.8574 7.9349 116.3706 57.3118 62.4413 178.2648 100 N 4.8961 7.9660 117.6346 53.1190 39.6593 175.5252 101 P 4.8570 0.0000 0.0000 63.6836 32.0830 179.3757 102 K 4.8556 7.6588 118.4559 54.4195 32.6640 182.4478 103 G 4.2622 8.1542 108.5324 46.5943 0.0000 174.7442 104 I 4.5741 7.4985 116.1001 59.0449 38.4161 179.6083 105 P 5.0745 0.0000 0.0000 62.4877 32.0251 178.7337 106 Q 4.8493 7.7826 133.1144 55.5139 30.9808 175.7661 107 V 3.8501 7.6856 119.3556 61.9478 31.4932 179.4653 108 K 4.5430 8.3690 120.2871 55.3167 35.3515 179.9064 109 S 4.7841 8.0050 112.9186 60.4526 59.4360 173.5696 110 G 4.0706 7.9560 112.3318 45.8808 0.0000 174.1481 111 L 4.6004 8.3116 125.5032 54.9277 46.5965 173.7104 112 L 4.7521 7.9210 118.9108 56.8025 41.8953 180.7337 113 Q 4.6869 7.3331 117.7322 56.2834 33.3732 171.5350 114 G 4.1864 8.3664 113.6691 47.5123 0.0000 173.1579 115 Q 4.6139 7.6317 123.0978 54.1221 29.7055 179.8515 116 I 4.7655 8.1085 126.7436 58.7711 40.1532 174.6570 117 L 5.7722 7.8663 128.4943 54.2213 43.4694 177.8613 118 T 4.3116 8.2819 104.8929 61.2587 69.2261 170.1463 119 A 3.9535 8.2731 127.1472 52.7344 16.4900 180.7460 120 K 5.3571 7.3629 132.5614 56.1727 32.2923 179.6859 121 D 4.9370 7.2571 119.5838 53.0493 42.2969 180.6643 122 V 5.0575 8.1447 116.8530 61.9988 34.2823 172.1341 123 E 4.3054 9.8289 125.6396 55.5662 30.5985 173.5435 124 A 4.1525 8.2851 126.7725 51.3872 21.2490 176.4761 125 L 3.7494 8.9437 112.9363 57.3691 41.2615 173.0661 126 A 4.6144 7.9018 123.2974 53.2332 19.3016 178.2498 127 E 4.7422 7.8991 115.3303 57.6170 30.7406 180.3966 128 L 4.8706 7.9760 119.4550 54.6002 43.5556 179.2228 129 P 5.0882 0.0000 0.0000 63.5074 31.9870 181.5258 130 T 4.5888 8.2625 115.0061 62.2594 71.1262 178.0326 131 M 4.7127 8.2305 117.5089 55.2191 33.9087 180.6590 132 D 5.2118 8.0139 117.6760 53.3459 41.0803 181.8252 133 E 4.3502 8.0114 122.0360 57.1244 30.5516 177.3061 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 4 K 8.41 4.26 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 R 8.58 4.44 0.00 1.89 1.81 0.00 3.18 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.26 0.00 6 N 7.93 5.13 0.00 2.70 2.67 0.00 0.00 6.49 7.67 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 7 V 7.38 4.66 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 0.78 0.00 0.00 0.93 0.00 0.00 8 E 8.12 4.63 0.00 1.92 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 2.11 1.84 0.00 9 L 8.12 4.66 0.00 1.64 1.58 0.92 0.73 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 10 L 7.82 4.74 0.00 1.60 1.54 0.92 0.73 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 11 A 8.19 4.50 1.27 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 0.00 0.00 0.00 12 T 7.75 4.68 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 13 L 8.04 4.70 0.00 1.60 1.50 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.21 4.49 0.00 1.75 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 0.97 7.81 15 E 8.29 4.70 0.00 1.93 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 2.11 1.82 0.00 16 N 8.80 5.14 0.00 2.69 2.64 0.00 0.00 6.52 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 17 L 6.99 5.89 0.00 1.75 1.62 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.99 4.81 0.00 1.92 1.77 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 2.11 1.84 0.00 19 R 7.60 4.83 0.00 1.77 1.70 0.00 3.27 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 20 A 7.86 4.69 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 21 Q 8.00 4.73 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.15 1.88 0.00 22 G 7.98 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 23 S 8.70 3.99 0.00 3.85 3.94 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 *24 F 7.78 5.05 0.00 1.90 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 F 8.91 4.61 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.83 4.72 0.00 1.43 1.45 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.35 4.84 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 1.26 0.00 0.00 0.93 0.00 0.00 28 N 8.51 4.37 0.00 2.41 2.70 0.00 0.00 6.84 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 Y 8.43 4.40 0.00 2.32 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 0.00 0.00 0.00 0.00 30 Q 7.68 4.58 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.41 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 31 G 7.48 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 0.00 0.00 0.00 32 L 7.52 4.50 0.00 1.63 1.43 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 5.01 0.00 2.05 1.62 0.00 3.70 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 1.83 1.54 0.00 34 A 8.82 4.44 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 35 K 8.06 4.13 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.35 1.00 7.81 36 E 8.01 4.55 0.00 1.98 1.82 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 2.19 1.86 0.00 37 T 7.33 4.61 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 *38 H 8.47 4.91 0.00 2.87 2.92 0.00 7.11 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 39 A 8.14 4.76 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 40 L 8.02 4.77 0.00 1.61 1.50 0.92 0.73 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 41 R 7.82 4.73 0.00 1.78 1.77 0.00 3.27 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.00 42 Q 7.81 4.65 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.13 1.86 0.00 43 A 8.17 4.50 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 44 L 7.81 4.46 0.00 1.67 1.50 0.92 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 45 K 7.35 4.68 0.00 1.71 1.60 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.00 7.81 46 Q 8.01 4.56 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.56 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 47 N 7.20 4.62 0.00 2.67 2.63 0.00 0.00 6.64 7.51 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 48 G 7.73 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 49 A 8.39 4.45 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 50 R 8.34 4.34 0.00 1.85 1.78 0.00 3.26 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 51 L 7.19 4.76 0.00 1.60 1.45 0.92 0.74 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 *52 F 7.38 4.87 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.17 3.85 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 0.89 0.00 0.00 0.93 0.00 0.00 54 A 8.72 4.82 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 55 K 8.83 4.23 0.00 1.79 1.68 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 56 N 7.31 4.37 0.00 2.66 2.73 0.00 0.00 7.51 7.22 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 57 T 8.49 3.90 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 58 L 7.15 4.00 0.00 1.96 1.57 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.91 3.71 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 1.27 0.53 0.91 0.00 0.00 60 R 8.86 4.29 0.00 1.99 2.09 0.00 3.21 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.00 61 L 7.24 4.61 0.00 1.69 1.57 0.92 0.72 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 62 A 7.80 4.68 1.23 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 63 L 8.07 4.75 0.00 1.62 1.53 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.17 4.77 0.00 1.70 1.62 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.97 7.81 65 E 8.35 4.78 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 66 L 7.98 4.95 0.00 1.50 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.35 4.18 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 0.00 68 L 7.88 4.59 0.00 1.62 1.49 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.76 0.00 2.05 1.93 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.54 0.00 70 E 8.68 4.41 0.00 2.03 2.31 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 2.06 1.78 0.00 71 L 7.10 4.62 0.00 1.71 1.56 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.99 4.65 0.00 2.60 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 73 G 8.85 4.65 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 74 L 7.59 4.82 0.00 1.43 1.46 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.19 4.45 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 76 G 8.21 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 0.00 0.00 0.00 0.00 77 P 0.00 4.86 0.00 2.06 1.89 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 78 S 7.83 4.75 0.00 3.62 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 79 A 8.11 4.06 1.16 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 0.00 0.00 80 V 7.83 3.17 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 0.71 0.00 0.00 0.93 0.00 0.00 81 V 8.40 4.13 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 0.88 0.00 0.00 0.93 0.00 0.00 *82 F 8.62 4.60 0.00 2.18 2.23 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 *83 Y 8.36 4.23 0.00 2.22 2.31 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 84 E 8.52 4.23 0.00 2.17 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 2.10 1.86 0.00 85 D 8.21 4.88 0.00 2.67 2.49 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 0.00 0.00 0.00 0.00 86 P 0.00 4.36 0.00 2.08 1.90 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 87 V 8.42 4.68 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 0.91 0.00 0.00 0.93 0.00 0.00 88 A 7.62 4.88 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 89 A 7.69 4.28 1.27 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 0.00 0.00 0.00 90 A 7.86 5.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.64 0.00 1.78 1.69 0.00 1.70 0.00 0.00 2.40 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.01 7.81 92 T 7.93 4.36 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 93 L 8.33 4.56 0.00 1.54 1.66 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.84 3.92 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 0.86 0.00 0.00 0.93 0.00 0.00 95 Q 7.93 4.82 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.76 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 *96 F 7.94 4.84 0.00 2.24 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 0.00 0.00 0.00 97 A 7.79 4.46 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 98 K 8.02 4.68 0.00 1.73 1.61 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 0.96 7.81 99 S 7.93 4.86 0.00 3.57 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 0.00 100 N 7.97 4.90 0.00 2.69 2.63 0.00 0.00 6.77 7.75 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 0.00 101 P 0.00 4.86 0.00 2.07 1.95 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.55 0.00 102 K 7.66 4.86 0.00 1.70 1.61 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.99 7.81 103 G 8.15 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 0.00 0.00 0.00 0.00 104 I 7.50 4.57 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 1.27 0.83 0.91 0.00 0.00 105 P 0.00 5.07 0.00 2.03 1.83 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.41 0.00 106 Q 7.78 4.85 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.97 0.00 0.00 0.00 0.00 0.00 2.03 1.69 0.00 107 V 7.69 3.85 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 0.88 0.00 0.00 0.93 0.00 0.00 108 K 8.37 4.54 0.00 1.70 1.63 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 0.99 7.81 109 S 8.01 4.78 0.00 3.78 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 0.00 110 G 7.96 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.31 4.60 0.00 1.53 1.60 0.92 0.57 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 0.00 112 L 7.92 4.75 0.00 1.56 1.65 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.33 4.69 0.00 2.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.09 1.83 0.00 114 G 8.37 4.19 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 0.00 0.00 0.00 115 Q 7.63 4.61 0.00 1.71 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.77 0.00 0.00 0.00 0.00 0.00 2.24 1.89 0.00 116 I 8.11 4.77 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 1.20 0.68 0.91 0.00 0.00 117 L 7.87 5.77 0.00 1.43 1.52 0.92 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 0.00 118 T 8.28 4.31 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 0.00 119 A 8.27 3.95 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 0.00 120 K 7.36 5.36 0.00 1.90 1.80 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.13 0.72 7.81 121 D 7.26 4.94 0.00 2.59 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 0.00 122 V 8.14 5.06 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 0.89 0.00 0.00 0.93 0.00 0.00 123 E 9.83 4.31 0.00 1.60 1.76 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 2.26 2.14 0.00 124 A 8.29 4.15 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 0.00 125 L 8.94 3.75 0.00 1.58 1.56 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.90 4.61 1.27 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 0.00 0.00 0.00 127 E 7.90 4.74 0.00 1.91 1.77 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 2.13 2.07 0.00 128 L 7.98 4.87 0.00 1.59 1.51 0.92 0.78 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 0.00 129 P 0.00 5.09 0.00 2.03 1.88 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 130 T 8.26 4.59 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 0.00 131 M 8.23 4.71 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.05 0.00 132 D 8.01 5.21 0.00 2.66 2.53 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 0.00 133 E 8.01 4.35 0.00 1.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.