NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7981 8.4249 118.0780 53.3151 39.6043 173.1595 3 K 4.3788 9.3987 124.1617 53.6930 35.3137 170.3451 4 V 4.9275 8.6320 122.4261 61.5096 35.0219 173.6581 5 Y 5.2345 9.5893 125.2217 56.1502 41.6561 174.2646 6 L 5.4324 9.1594 123.2370 53.5120 45.1085 175.2726 7 A 5.2318 9.4518 126.6741 49.5882 23.4956 175.5374 8 N 5.1550 8.6442 112.5307 51.3718 37.6471 174.4820 9 A 4.3845 7.3542 117.9002 52.2107 21.6038 175.9238 10 F 4.9946 8.7895 122.1940 56.3606 41.6044 175.1187 11 S 4.3369 7.3246 120.3216 55.9315 65.6056 174.4100 12 I 3.5545 8.1568 126.9009 64.6828 36.9728 178.0107 13 N 4.3744 7.9174 115.8440 55.9634 38.6592 176.0291 14 M 4.3530 7.7674 117.3484 56.7327 32.3297 176.4695 15 L 4.4730 7.7009 119.1224 54.3054 42.5230 176.6212 16 T 4.4578 8.0944 110.5274 61.3871 70.8877 174.4174 17 K 4.6104 7.2889 119.2206 54.3053 35.3687 175.2469 18 F 4.9680 8.2453 119.1553 55.0741 42.9094 172.6626 19 P 4.6985 0.0000 0.0000 62.7358 32.1177 175.8962 20 T 4.5067 8.3933 118.7490 61.9420 70.4254 173.8748 21 K 4.5643 8.3127 122.8466 54.7836 33.8838 176.1153 22 V 4.5572 8.2109 122.5933 61.0441 34.2302 174.4081 23 V 4.3113 8.6405 127.9917 61.3155 33.4836 174.2810 24 I 4.8557 8.3260 128.0335 59.5448 39.7608 174.2241 25 D 5.0446 9.1157 127.1197 52.1023 44.2921 174.5210 26 K 4.5498 8.8716 127.2751 55.9148 32.8608 175.7208 27 I 4.8210 8.2973 120.8971 59.0826 40.8312 175.1290 28 D 5.1033 8.7409 122.7308 51.5931 41.3889 177.1516 29 R 3.8275 8.3544 114.9009 58.5670 29.3823 178.2541 30 L 3.8383 7.9362 121.1392 58.2266 42.2303 178.3776 31 E 3.8984 8.7235 119.2930 59.0555 29.6029 178.4330 32 F 3.9213 8.1234 120.6460 61.6013 39.3276 176.4959 33 C 4.0054 8.0434 115.9929 59.8490 39.7171 175.9876 34 E 3.8026 7.7555 119.2014 59.5581 29.1317 178.9352 35 N 4.2601 7.4526 115.3375 55.8267 38.5974 177.1622 36 I 3.7812 6.8908 112.8311 62.0824 39.2184 176.9640 37 D 4.5810 7.1520 121.8692 51.6290 38.2541 173.8382 38 N 4.8850 7.2172 119.4372 51.5755 42.5128 174.9863 39 E 3.9332 8.9245 125.1367 58.9866 29.7644 177.3528 40 D 4.7454 8.9648 117.0768 53.8624 41.1698 176.0979 41 I 4.1621 7.2929 120.5974 60.8348 39.1172 175.2971 42 I 4.3641 8.5454 129.8908 59.6338 38.8802 174.1953 43 N 4.8471 8.8276 127.2125 52.5428 39.4954 174.6199 44 S 5.2941 8.9102 120.1449 57.1847 64.9945 173.0460 45 I 4.3254 8.4708 122.7691 60.9813 37.4603 176.8587 46 G 3.8178 8.8612 116.1369 46.7757 0.0000 173.6470 47 H 4.4198 8.1121 118.6334 55.2734 29.9666 175.6251 48 D 4.4184 8.7979 125.6064 57.3609 41.1030 178.3446 49 S 4.4541 8.1089 114.3202 61.4496 63.0580 176.5017 50 T 4.0261 7.9117 119.1857 66.3114 68.3282 176.7633 51 I 3.7889 7.7699 121.6749 64.7452 37.1427 178.6503 52 Q 4.0839 8.7226 119.1119 58.4921 28.4554 178.1289 53 L 4.0084 7.8141 122.0402 58.5078 42.1179 179.2682 54 I 3.9760 8.0895 112.7828 63.9053 37.6226 177.9048 55 N 4.4929 8.6033 120.1545 55.9694 38.2160 177.5817 56 S 4.2231 8.2834 115.4298 60.8967 62.8911 176.3691 57 L 4.1306 7.6833 122.7006 58.0489 42.1981 177.5415 58 C 4.6450 8.5298 113.4155 55.9759 40.6734 174.3997 59 G 3.8284 7.9218 108.6836 46.4152 0.0000 174.0867 60 T 4.1905 7.5284 110.4269 60.6557 70.4114 174.0900 61 T 4.4190 7.2722 109.3277 60.9962 68.8953 174.2833 62 F 4.6276 7.9673 119.4682 58.3607 40.0147 175.5164 63 Q 4.6640 8.3927 119.8785 53.5620 31.4422 174.9196 64 K 4.0434 8.7462 119.1617 58.1877 33.1007 176.4048 65 N 4.9264 8.9074 124.0059 51.7432 40.6321 171.9902 66 R 4.4155 8.3420 122.5754 55.8082 30.9785 176.0456 67 V 4.4763 8.1352 123.0914 61.1382 34.8779 173.8618 68 E 4.1143 8.9732 129.1871 55.7505 29.7113 175.5038 69 I 4.3373 8.1202 119.5427 58.8865 39.6759 174.3609 70 K 4.9401 8.1264 121.6344 54.6624 34.6975 175.7590 71 L 4.5817 9.0871 126.0008 54.2514 43.1944 175.9767 72 E 4.7644 9.3375 121.4246 53.6987 33.6301 175.4337 73 K 3.9076 8.5378 119.2809 58.6415 32.2768 177.5977 74 E 3.8594 9.0452 120.9913 56.7174 28.2669 174.5228 75 D 4.9575 7.7140 118.9102 54.1527 42.5947 175.4035 76 K 5.0973 9.0258 118.8808 54.6140 36.6094 175.1827 77 L 5.1620 8.9761 125.8016 53.5675 45.2803 174.4584 78 Y 5.0534 9.2813 124.7931 56.6874 39.8631 174.6926 79 V 5.1347 9.3189 125.3174 61.1740 34.5731 174.2978 80 V 4.7545 8.7507 127.3837 61.2839 33.7511 173.9845 81 Q 4.6584 9.1953 129.8469 54.6216 31.0924 173.6824 82 I 4.7412 8.3086 127.3795 59.8369 38.8043 175.9970 83 S 4.5985 8.7374 121.8863 58.8725 63.7144 174.1189 *91 I 3.8570 7.3492 112.9909 62.0778 38.8250 174.2113 92 L 3.5925 8.4361 114.9853 56.5373 38.5108 174.3584 93 T 4.3177 9.9132 111.3403 60.8167 71.7898 175.4704 94 L 3.9406 8.3680 122.3012 58.1641 42.0622 178.5515 95 E 3.9666 8.1227 119.0429 59.1036 29.6609 178.5533 96 E 3.9344 8.0273 118.4456 59.6433 29.6113 179.1347 97 I 3.7678 7.9517 119.9376 64.7077 37.0808 178.4517 98 L 4.1689 8.0968 119.5886 57.4185 41.4615 179.3113 99 K 3.9865 8.1472 119.5030 59.0019 32.0817 178.9991 100 L 4.0057 7.9242 119.6466 57.7433 41.4676 178.3025 101 Y 4.1817 8.1787 119.5389 61.0371 38.4347 178.2053 102 E 3.9946 8.3785 118.3483 59.1020 29.7157 179.0767 103 S 4.2231 8.0379 115.0874 59.7921 62.9185 175.5246 104 G 3.8479 7.4063 108.9994 44.6672 0.0000 174.4640 105 K 4.0925 8.0009 119.5295 58.2551 33.2785 176.9021 106 V 4.6128 7.5875 119.5788 61.0259 33.2587 175.0238 107 Q 4.2497 8.7515 126.0418 53.8984 33.2541 174.2470 108 F 5.4761 7.8785 118.9904 55.9341 42.9970 174.1489 109 F 5.3855 9.2501 119.4143 55.9589 43.9827 172.9705 110 E 4.8062 9.7082 122.9900 54.4922 32.0910 174.4839 111 I 4.7541 8.8349 128.1155 59.5313 39.9718 174.4672 112 I 4.6092 8.5145 128.2336 59.3704 39.7803 176.0724 113 V 4.0135 8.3729 126.1209 63.0670 31.5195 175.5704 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 2 N 8.42 4.80 0.00 2.63 2.89 0.00 0.00 6.86 6.73 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 3 K 9.40 4.38 0.00 1.63 1.37 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.66 7.81 4 V 8.63 4.93 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 1.29 0.00 0.00 0.98 0.00 0.00 5 Y 9.59 5.23 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.16 5.43 0.00 1.62 1.34 1.20 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 A 9.45 5.23 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 8 N 8.64 5.15 0.00 2.84 2.95 0.00 0.00 6.20 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 9 A 7.35 4.38 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 10 F 8.79 4.99 0.00 2.87 2.92 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 11 S 7.32 4.34 0.00 3.67 3.41 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 12 I 8.16 3.55 1.78 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 1.42 0.36 0.92 0.00 0.00 13 N 7.92 4.37 0.00 2.63 2.84 0.00 0.00 6.93 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 14 M 7.77 4.35 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 15 L 7.70 4.47 0.00 1.78 1.08 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.09 4.46 4.20 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 1.23 0.00 0.00 17 K 7.29 4.61 0.00 1.54 1.61 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.33 7.81 18 F 8.25 4.97 0.00 2.97 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 19 P 0.00 4.70 0.00 2.24 2.13 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 20 T 8.39 4.51 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 1.18 0.00 0.00 21 K 8.31 4.56 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.34 7.81 22 V 8.21 4.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 1.02 0.00 0.00 23 V 8.64 4.31 2.04 0.00 0.00 0.00 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 0.91 0.00 0.00 24 I 8.33 4.86 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.62 0.82 0.00 0.00 25 D 9.12 5.04 0.00 2.78 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.87 4.55 0.00 1.91 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.17 0.71 7.81 27 I 8.30 4.82 2.01 0.00 0.00 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 1.47 1.08 1.09 0.00 0.00 28 D 8.74 5.10 0.00 3.10 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 29 R 8.35 3.83 0.00 1.78 1.72 0.00 2.69 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 30 L 7.94 3.84 0.00 1.72 1.92 0.92 0.93 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 31 E 8.72 3.90 0.00 2.15 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 2.43 2.58 0.00 32 F 8.12 3.92 0.00 2.87 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 33 C 8.04 4.01 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 3.80 0.00 2.04 1.90 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 2.27 2.28 0.00 35 N 7.45 4.26 0.00 1.67 1.83 0.00 0.00 7.13 7.36 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 36 I 6.89 3.78 1.72 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.34 -0.15 0.00 0.00 37 D 7.15 4.58 0.00 2.60 2.66 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 0.00 0.00 0.00 38 N 7.22 4.88 0.00 2.76 2.60 0.00 0.00 7.07 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 39 E 8.92 3.93 0.00 1.97 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 2.26 2.29 0.00 40 D 8.96 4.75 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 41 I 7.29 4.16 1.89 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 1.23 0.85 1.24 0.00 0.00 42 I 8.55 4.36 1.50 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.35 1.05 0.00 0.00 43 N 8.83 4.85 0.00 2.51 2.77 0.00 0.00 7.02 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 44 S 8.91 5.29 0.00 4.06 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 45 I 8.47 4.33 2.00 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 1.21 1.43 0.97 0.00 0.00 46 G 8.86 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 47 H 8.11 4.42 0.00 3.20 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.80 4.42 0.00 2.77 2.70 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 49 S 8.11 4.45 0.00 4.13 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 50 T 7.91 4.03 4.43 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 0.00 0.00 0.00 1.28 0.00 0.00 51 I 7.77 3.79 2.10 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 1.77 1.05 1.06 0.00 0.00 52 Q 8.72 4.08 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 53 L 7.81 4.01 0.00 1.90 1.93 0.98 1.10 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 54 I 8.09 3.98 2.17 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 2.01 1.22 1.17 0.00 0.00 55 N 8.60 4.49 0.00 2.99 2.95 0.00 0.00 6.90 7.27 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 56 S 8.28 4.22 0.00 4.02 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 57 L 7.68 4.13 0.00 1.84 1.91 0.91 1.03 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 58 C 8.53 4.65 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 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 60 T 7.53 4.19 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 1.09 0.00 0.00 61 T 7.27 4.42 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 1.13 0.00 0.00 62 F 7.97 4.63 0.00 3.30 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 63 Q 8.39 4.66 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 64 K 8.75 4.04 0.00 1.92 1.95 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.49 7.81 65 N 8.91 4.93 0.00 2.91 2.73 0.00 0.00 6.78 8.71 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 66 R 8.34 4.42 0.00 1.75 1.88 0.00 3.23 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 67 V 8.14 4.48 2.15 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 0.81 0.00 0.00 1.05 0.00 0.00 68 E 8.97 4.11 0.00 1.96 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 2.26 2.26 0.00 69 I 8.12 4.34 0.91 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.94 0.00 0.00 70 K 8.13 4.94 0.00 1.58 1.69 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.35 7.81 71 L 9.09 4.58 0.00 1.46 1.60 1.06 0.95 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 E 9.34 4.76 0.00 2.00 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 2.20 2.26 0.00 73 K 8.54 3.91 0.00 1.73 1.77 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 74 E 9.05 3.86 0.00 2.13 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 2.23 2.27 0.00 75 D 7.71 4.96 0.00 2.85 2.79 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 76 K 9.03 5.10 0.00 1.69 1.50 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.35 7.81 77 L 8.98 5.16 0.00 1.77 1.47 1.13 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 9.28 5.05 0.00 3.09 3.10 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 79 V 9.32 5.13 2.32 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 1.10 0.00 0.00 1.06 0.00 0.00 80 V 8.75 4.75 2.20 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 0.96 0.00 0.00 1.14 0.00 0.00 81 Q 9.20 4.66 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 82 I 8.31 4.74 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 0.89 0.00 0.00 83 S 8.74 4.60 0.00 3.70 3.84 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 *91 I 7.35 3.86 1.89 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 1.43 0.56 0.92 0.00 0.00 92 L 8.44 3.59 0.00 1.82 1.76 0.96 0.85 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 93 T 9.91 4.32 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 94 L 8.37 3.94 0.00 1.79 1.72 0.93 0.76 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 95 E 8.12 3.97 0.00 2.09 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 2.39 2.42 0.00 96 E 8.03 3.93 0.00 2.19 2.00 0.00 0.00 0.00 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 2.36 0.00 97 I 7.95 3.77 1.92 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 1.57 0.79 0.99 0.00 0.00 98 L 8.10 4.17 0.00 1.81 1.78 0.97 1.01 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 99 K 8.15 3.99 0.00 1.92 2.08 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 100 L 7.92 4.01 0.00 1.97 1.69 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.18 4.18 0.00 3.08 3.18 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 0.00 102 E 8.38 3.99 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 103 S 8.04 4.22 0.00 3.95 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 0.00 104 G 7.41 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 0.00 105 K 8.00 4.09 0.00 1.85 1.84 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.35 7.81 106 V 7.59 4.61 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 0.42 0.00 0.00 0.91 0.00 0.00 107 Q 8.75 4.25 0.00 1.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.51 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 108 F 7.88 5.48 0.00 3.08 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 0.00 109 F 9.25 5.39 0.00 3.06 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 9.71 4.81 0.00 2.08 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 1.97 1.54 0.00 111 I 8.83 4.75 1.68 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.37 0.39 0.00 0.00 112 I 8.51 4.61 1.82 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 1.04 0.73 0.89 0.00 0.00 113 V 8.37 4.01 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 1.02 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.