NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3791 8.1576 122.0387 55.8968 34.3641 175.2373 4 V 4.9053 7.3064 115.1732 60.2590 33.7646 171.1529 5 C 4.5312 9.2109 122.5574 59.0728 33.0642 175.6177 6 E 4.0319 8.7584 126.2320 58.2046 29.4274 177.6069 7 I 4.3259 7.6811 117.1973 60.8260 39.1609 176.1807 8 S 4.3368 8.3403 113.0387 57.5383 64.7040 175.2187 9 G 3.8912 7.7165 107.1956 44.3658 0.0000 173.1453 10 K 4.1719 7.9413 120.0838 56.6120 32.7707 176.2772 11 R 5.3249 8.6654 123.9208 52.0439 33.5258 173.5541 12 P 4.5707 0.0000 0.0000 63.6229 31.5966 175.3109 13 I 4.2861 8.4584 118.7098 59.2466 39.6061 175.3831 14 V 3.9315 8.5906 125.4257 63.4125 31.3932 174.1036 15 A 4.7614 8.2183 132.8971 51.4343 22.1008 173.2262 16 N 4.8802 8.5443 114.6986 54.7801 42.5533 174.2149 17 S 4.4404 8.9033 115.1194 57.3233 65.5332 174.2865 18 I 4.4961 8.3557 125.7243 61.2248 38.6137 175.5887 19 Q 4.6935 7.8666 120.9667 54.9399 33.2530 174.0766 20 R 4.6773 8.1432 115.5733 55.7447 31.5780 173.9739 21 R 4.6157 10.3327 120.4955 53.5645 31.8820 175.0012 22 G 4.3257 8.0795 108.5685 43.7867 0.0000 172.2526 23 K 4.0834 7.9980 122.5788 55.1951 33.2184 176.8629 24 A 4.1439 8.4673 128.6103 52.2301 19.0896 178.3182 25 K 4.1208 8.6525 122.2580 59.3990 32.6164 178.6094 26 R 4.1211 8.0676 113.9226 58.8082 30.1661 176.8343 27 E 4.5560 7.8646 122.8064 56.8641 28.7343 177.8101 28 G 4.1829 8.1521 112.3507 50.2613 0.0000 171.6863 29 G 3.9968 8.6124 110.8593 42.8628 0.0000 176.0801 30 V 2.9276 9.2418 115.7366 62.1115 30.6465 173.6838 31 G 4.0774 9.3713 106.8342 44.6001 0.0000 173.7639 32 K 4.4379 7.9717 119.8643 53.0949 31.8522 175.5346 33 K 4.0177 8.0462 122.0552 56.5727 33.0046 176.1101 34 T 4.7306 8.1628 115.7645 62.4274 70.8903 174.3121 35 T 4.4417 9.9129 119.5814 59.6470 67.6112 173.2127 36 G 4.3458 7.6856 118.0199 44.7884 0.0000 172.6785 37 I 4.1249 7.9712 128.0829 60.7709 37.8846 175.5546 38 S 4.7930 8.5810 123.5649 56.5498 65.2360 173.5242 39 K 4.8837 8.4986 125.6948 55.8528 33.7635 176.0571 40 R 4.4849 7.8859 119.5082 56.5218 32.6563 173.7381 41 R 4.7423 8.4515 118.3310 55.4209 32.8940 173.4040 42 Q 4.0811 9.0509 124.6727 56.0552 28.9818 176.1124 43 Y 4.8150 8.1424 120.8808 57.2813 39.0655 173.7130 44 P 4.6602 0.0000 0.0000 61.6632 33.0448 176.4942 45 N 4.7554 8.5768 122.5285 54.2499 36.4795 172.4137 46 L 4.5864 7.9098 120.9156 54.3699 43.0734 176.2490 47 Q 4.7947 8.9237 121.4037 53.8447 33.5201 173.9572 48 K 4.9587 8.5998 120.4548 54.9340 34.6908 175.4709 49 V 4.7212 8.8149 126.6006 59.9670 35.1143 174.8330 50 R 5.1017 8.4151 119.3217 53.5389 33.1290 175.1720 51 V 4.1196 8.1732 116.3823 60.6661 35.8417 176.2996 52 R 3.7863 8.8485 121.5693 56.4710 29.2338 174.1376 53 V 3.3540 9.1351 135.0000 63.6114 31.9180 170.7733 54 A 3.9010 8.9753 135.0000 52.1904 17.3111 178.5842 55 G 4.7015 7.9001 112.9685 47.1919 0.0000 172.9294 56 Q 4.1726 7.2905 120.7996 55.3449 27.0166 176.3883 57 E 4.2834 7.6378 116.2846 56.0648 30.4745 175.3983 58 I 4.7725 8.3482 126.7556 59.3896 41.7932 173.5891 59 T 5.1421 7.9866 111.0572 60.2986 71.7200 173.2869 60 F 5.0471 8.9480 120.9436 56.1814 43.9151 174.4761 61 R 5.4053 10.2839 122.3011 54.3785 29.7634 175.4578 62 V 4.4174 8.0262 122.8495 60.2285 34.1213 175.4330 63 A 3.9352 9.0978 124.7945 54.9212 18.8632 179.0535 64 A 3.0545 8.7393 120.1644 50.7407 20.2538 178.2238 65 S 4.5693 8.1293 113.1211 56.1869 63.4125 175.8409 66 H 4.8250 8.5738 111.3377 57.4457 31.9890 175.7963 67 I 3.9026 8.1509 122.7806 64.3602 37.2209 176.5486 68 P 3.9133 0.0000 0.0000 65.8490 31.0545 177.3507 69 K 3.7986 8.1277 119.3331 59.3299 31.6054 177.9525 70 V 3.3766 7.4298 118.1456 66.5383 31.7783 177.2393 71 Y 4.3107 8.1402 115.6701 60.8914 38.7715 177.4886 72 E 4.5992 8.1742 122.0140 54.3583 25.5219 175.8153 73 L 5.1450 7.2222 127.9566 53.3858 44.8412 175.4004 74 V 4.2544 8.0945 119.7807 63.6487 32.4561 177.0310 75 E 4.1115 8.1790 118.0594 58.8513 29.8262 177.9400 76 R 4.2023 7.8875 115.1950 57.5424 30.3974 177.9175 77 A 4.2395 7.3383 119.3202 54.3459 18.5896 179.4135 78 K 3.7589 7.6007 114.4507 59.5162 32.5166 178.0937 79 G 3.7316 7.9613 106.7499 46.4883 0.0000 173.3345 80 L 4.3816 8.5729 122.6784 53.3450 43.1128 176.9220 81 K 4.2118 8.4034 125.2749 56.5248 30.2194 175.6229 82 L 4.9311 8.4011 123.3572 51.8681 45.0728 176.8725 83 E 5.8261 8.7792 130.0292 57.1709 29.1143 176.3698 84 G 3.8210 7.6572 109.2698 45.7492 0.0000 173.7291 85 L 4.0785 8.5973 122.7867 55.6069 41.8597 179.5499 86 S 4.6174 8.1584 118.2585 55.8454 59.8117 172.3471 87 P 4.1514 0.0000 0.0000 66.9373 31.1096 178.0871 88 K 3.7508 8.1103 117.6771 59.3080 31.2597 177.9159 89 E 4.0958 7.9358 117.8057 59.6081 29.5293 178.7453 90 I 3.9495 8.0844 118.6812 64.5579 37.6548 177.3472 91 K 3.6243 9.0508 117.7582 59.7974 32.6848 177.3715 92 K 4.6534 6.2832 120.2080 56.1130 31.1803 178.5049 93 E 4.5709 7.6953 112.8111 57.8853 32.8102 175.5134 94 L 4.4619 7.5505 119.0633 53.4552 42.5410 175.0777 95 L 3.4711 8.7061 125.4468 56.4214 40.9889 175.0049 *96 K 4.1330 7.9269 122.3644 54.8320 32.3453 179.5138 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 8.16 4.38 0.00 1.80 1.83 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.41 7.81 4 V 7.31 4.91 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 1.00 0.00 0.00 0.94 0.00 0.00 5 C 9.21 4.53 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.76 4.03 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 7 I 7.68 4.33 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.41 0.81 0.00 0.00 8 S 8.34 4.34 0.00 3.81 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.72 3.89 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 0.00 0.00 0.00 10 K 7.94 4.17 0.00 1.77 1.79 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.42 7.81 11 R 8.67 5.32 0.00 1.65 1.91 0.00 3.30 0.00 0.00 3.50 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 12 P 0.00 4.57 0.00 2.24 2.28 0.00 3.95 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.83 0.00 13 I 8.46 4.29 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 1.16 0.85 0.93 0.00 0.00 14 V 8.59 3.93 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 0.78 0.00 0.00 0.95 0.00 0.00 15 A 8.22 4.76 1.11 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 16 N 8.54 4.88 0.00 2.68 2.68 0.00 0.00 6.59 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 17 S 8.90 4.44 0.00 3.85 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 18 I 8.36 4.50 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 1.34 0.53 0.90 0.00 0.00 19 Q 7.87 4.69 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 20 R 8.14 4.68 0.00 1.93 1.84 0.00 2.99 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 21 R 10.33 4.62 0.00 1.91 1.93 0.00 3.10 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 22 G 8.08 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 0.00 0.00 0.00 0.00 23 K 8.00 4.08 0.00 1.73 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 24 A 8.47 4.14 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 25 K 8.65 4.12 0.00 1.73 1.84 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 26 R 8.07 4.12 0.00 1.95 2.06 0.00 3.07 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 27 E 7.86 4.56 0.00 1.95 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 2.35 0.00 28 G 8.15 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 29 G 8.61 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 30 V 9.24 2.93 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 0.69 0.00 0.00 0.93 0.00 0.00 31 G 9.37 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 32 K 7.97 4.44 0.00 1.67 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.30 1.50 7.81 33 K 8.05 4.02 0.00 1.78 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.43 7.81 34 T 8.16 4.73 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 1.26 0.00 0.00 35 T 9.91 4.44 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 1.25 0.00 0.00 36 G 7.69 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 0.00 0.00 0.00 0.00 37 I 7.97 4.12 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 1.34 0.46 0.91 0.00 0.00 38 S 8.58 4.79 0.00 3.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.50 4.88 0.00 1.74 1.69 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.49 7.81 40 R 7.89 4.48 0.00 1.79 1.96 0.00 2.95 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 41 R 8.45 4.74 0.00 1.88 2.00 0.00 3.29 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 42 Q 9.05 4.08 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 43 Y 8.14 4.81 0.00 2.79 2.81 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 44 P 0.00 4.66 0.00 2.20 2.09 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 45 N 8.58 4.76 0.00 2.86 2.80 0.00 0.00 7.24 6.66 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 46 L 7.91 4.59 0.00 1.58 1.60 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.92 4.79 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 48 K 8.60 4.96 0.00 1.71 1.68 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.49 7.81 49 V 8.81 4.72 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 0.82 0.00 0.00 1.21 0.00 0.00 50 R 8.42 5.10 0.00 1.66 1.83 0.00 3.21 0.00 0.00 3.88 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 51 V 8.17 4.12 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 0.29 0.00 0.00 0.90 0.00 0.00 52 R 8.85 3.79 0.00 1.80 1.69 0.00 3.33 0.00 0.00 3.24 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 53 V 9.14 3.35 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 0.94 0.00 0.00 0.93 0.00 0.00 54 A 8.98 3.90 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 55 G 7.90 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.29 4.17 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 57 E 7.64 4.28 0.00 1.90 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 2.28 2.23 0.00 58 I 8.35 4.77 1.91 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.15 0.97 0.00 0.00 59 T 7.99 5.14 4.22 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 1.18 0.00 0.00 60 F 8.95 5.05 0.00 3.01 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 61 R 10.28 5.41 0.00 1.76 1.93 0.00 3.45 0.00 0.00 3.33 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 62 V 8.03 4.42 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 0.81 0.00 0.00 1.01 0.00 0.00 63 A 9.10 3.94 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 64 A 8.74 3.05 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 65 S 8.13 4.57 0.00 3.95 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 66 H 8.57 4.83 0.00 3.14 3.21 0.00 5.67 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.15 3.90 1.84 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 1.52 1.01 0.89 0.00 0.00 68 P 0.00 3.91 0.00 2.15 2.20 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 69 K 8.13 3.80 0.00 1.90 1.99 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.56 7.81 70 V 7.43 3.38 2.30 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 0.81 0.00 0.00 0.67 0.00 0.00 71 Y 8.14 4.31 0.00 3.24 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 72 E 8.17 4.60 0.00 2.01 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 2.33 2.36 0.00 73 L 7.22 5.15 0.00 2.07 1.62 0.95 0.68 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 74 V 8.09 4.25 2.28 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 1.01 0.00 0.00 0.93 0.00 0.00 75 E 8.18 4.11 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 76 R 7.89 4.20 0.00 1.82 1.97 0.00 3.26 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 77 A 7.34 4.24 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 78 K 7.60 3.76 0.00 1.93 1.98 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.65 1.41 7.81 79 G 7.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.57 4.38 0.00 1.76 1.58 0.93 0.59 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 81 K 8.40 4.21 0.00 1.74 1.75 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.52 7.81 82 L 8.40 4.93 0.00 1.61 1.51 0.93 0.96 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 83 E 8.78 5.83 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 84 G 7.66 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 0.00 0.00 0.00 85 L 8.60 4.08 0.00 1.64 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.16 4.62 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.15 0.00 2.23 2.44 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 88 K 8.11 3.75 0.00 1.73 1.89 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.49 7.81 89 E 7.94 4.10 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 90 I 8.08 3.95 1.99 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 1.65 0.73 0.93 0.00 0.00 91 K 9.05 3.62 0.00 1.85 1.72 0.00 1.33 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 1.08 7.81 92 K 6.28 4.65 0.00 2.11 1.89 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 93 E 7.70 4.57 0.00 2.20 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 2.24 2.28 0.00 94 L 7.55 4.46 0.00 1.72 1.59 1.02 1.01 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 95 L 8.71 3.47 0.00 1.67 1.65 0.91 0.60 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 *96 K 7.93 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.