NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 P 4.4091 0.0000 0.0000 62.7207 33.6412 178.4474 29 D 4.1761 7.9227 116.8444 56.5348 41.0512 176.3714 30 A 3.9781 8.1820 121.4067 55.1495 18.8584 178.5841 31 E 3.8994 8.1238 117.3249 59.2816 29.7378 178.5183 32 E 3.9641 7.9431 118.8784 59.2974 29.7511 178.9216 33 R 3.9495 8.2252 118.3020 59.2357 30.1074 178.8197 34 Q 3.9610 8.0994 119.2673 59.4560 29.0123 178.3220 35 T 3.8630 7.9256 116.6385 66.7189 68.5663 176.5098 36 K 3.9387 8.1961 120.2317 59.6964 32.0505 179.3583 37 L 4.2370 8.1135 119.0020 57.9046 41.5254 179.8926 38 R 4.0467 8.1510 118.0633 59.2356 29.9718 179.0805 39 L 4.0248 8.3417 118.9100 57.7983 41.5331 179.4793 40 A 3.8416 8.6463 121.1447 55.0618 18.2386 179.0510 41 Y 4.5939 8.9762 119.6962 60.4393 38.9342 178.1597 42 A 3.7798 8.2773 121.6986 54.9862 18.4771 179.3766 43 L 3.7845 8.0302 118.9305 58.3739 42.1359 179.0097 44 N 4.1902 8.2785 116.5287 56.1342 38.3368 177.3083 45 A 4.0873 7.9511 124.0125 54.3455 18.2582 179.9388 46 V 3.4308 7.5946 116.8055 66.1673 31.5202 178.1672 47 I 3.6255 7.6949 119.5435 64.5124 37.0435 178.0051 48 D 4.3038 8.3800 119.8106 57.5988 40.5044 179.1513 49 R 4.0047 7.9308 116.9052 59.1781 30.2258 178.6688 50 A 4.1013 8.0958 118.3356 52.4011 18.4370 177.4091 51 R 3.8478 7.7476 115.0051 56.8055 28.4150 176.3976 52 L 4.1999 7.5304 117.4859 54.0163 42.4550 178.2597 53 S 4.3093 8.4862 118.2514 58.3359 64.7885 175.1892 54 Q 3.9411 8.6064 122.7715 59.3601 28.7584 178.4558 55 A 4.0366 7.9576 121.0283 55.1349 18.4669 179.3265 56 A 3.9140 8.3120 119.3291 55.1748 18.3575 179.7551 57 A 3.8946 8.5054 119.5626 55.0508 18.4912 179.4514 58 A 3.9901 8.2954 119.4675 55.4867 18.2205 179.7868 59 A 3.9259 7.8674 117.5746 55.3039 18.5549 179.4989 60 R 3.9668 8.1365 116.4616 59.4374 30.3103 178.1692 61 L 4.2965 8.2471 116.6447 54.2595 42.2117 176.8091 62 G 4.0068 7.8196 106.7208 46.6782 0.0000 173.4714 63 I 4.6537 7.5088 110.3852 57.7546 40.9993 175.4000 64 N 4.6014 8.3813 119.4321 52.7340 39.2720 175.9522 65 Q 4.0085 8.6537 120.5646 58.9980 28.8073 177.5378 66 P 4.2483 0.0000 0.0000 65.6762 31.3442 178.7649 67 K 4.0850 7.9600 115.8655 59.3935 31.9853 179.5636 68 V 3.6236 7.8280 118.4463 66.0127 31.4184 178.0475 69 S 4.0886 8.4031 113.0331 61.1301 62.1596 175.9702 70 A 4.0261 8.1246 123.4837 55.1710 18.2227 179.3812 71 L 3.6356 8.0352 117.4136 58.2223 41.5031 180.1663 72 R 3.9465 7.7183 116.1127 58.7253 29.9933 177.8731 73 N 4.8093 7.8415 113.6080 52.0160 39.5561 174.4008 74 Y 3.4405 7.3481 117.7429 59.0490 36.1212 171.3576 75 K 4.4030 8.3707 120.0853 55.3565 31.9928 176.5069 76 L 5.0503 8.0108 121.1521 54.3136 42.4625 178.7839 77 E 4.0206 8.4292 120.0940 59.4618 29.4358 178.5494 78 G 3.4837 8.0056 105.5594 46.7145 0.0000 173.0781 79 F 4.8443 7.8525 119.2563 55.6309 41.0451 176.3195 80 S 4.5909 8.4371 119.7392 57.3356 65.3665 175.2679 81 V 3.5984 8.4286 122.8905 66.3850 31.1704 177.6008 82 E 4.1133 8.2003 114.9858 59.7453 29.4257 178.4809 83 R 4.1357 8.2266 120.3274 58.7193 30.0517 179.5338 84 L 4.1786 8.0780 117.5075 55.2704 41.6686 179.3521 *86 T 4.2809 7.9141 117.3178 63.7555 70.6289 176.5646 87 L 4.0364 8.2161 121.4741 57.5606 41.4915 179.4940 88 L 3.9462 8.0971 119.1347 57.9561 41.5834 179.2483 89 N 4.6830 8.4285 116.9231 55.8190 38.3023 177.1536 90 A 4.0891 7.9182 120.9165 54.2409 18.3772 178.4664 91 L 4.4841 7.2575 115.7155 54.3500 42.3095 176.3121 92 D 4.4719 7.8613 116.4135 55.4236 38.7724 173.4551 93 Q 4.5554 7.9154 118.5927 54.1377 30.1698 175.3857 94 D 4.5091 8.5379 122.9061 54.0530 41.6101 176.0322 95 V 4.2011 8.2129 121.7789 61.0992 33.1181 174.2658 96 E 4.4402 8.7592 128.4713 54.4034 30.7977 175.1283 97 I 4.1314 8.2698 127.8720 59.9211 37.1055 175.1525 98 V 4.0904 8.1877 126.0121 61.2660 32.1374 175.0298 99 I 4.4182 8.2584 128.4115 59.7314 38.3499 175.3594 100 R 4.6687 8.1880 123.4822 53.6112 33.8200 175.1112 101 K 4.0150 8.6055 122.9254 56.0933 32.7729 176.8565 102 K 4.2319 8.3571 124.7109 55.8812 33.5837 174.9214 103 P 4.4114 0.0000 0.0000 62.1739 31.9412 177.7299 104 R 3.8609 8.7436 119.1789 59.1087 29.0796 177.2152 105 S 4.5489 7.8934 109.3764 57.5236 62.6240 172.9870 106 R 4.2890 7.6896 119.4925 55.3986 30.7929 176.0416 107 A 4.0926 8.8606 128.4331 54.6574 18.6721 177.3679 108 A 4.7309 7.5433 115.7009 49.8839 22.0515 175.7392 109 A 4.2784 8.3632 123.4938 52.1646 19.1857 176.8743 110 R 4.6723 8.0041 114.9507 54.9036 32.6982 174.2372 111 I 4.3726 8.0406 119.6197 59.6068 38.3244 175.8227 112 S 4.8450 8.4872 119.2651 56.2106 65.6609 173.3403 113 V 4.3814 8.1943 120.4571 60.9716 33.6563 174.9215 114 V 4.2301 8.3803 125.6785 60.9010 33.8169 174.4682 115 A 4.3967 8.7092 130.1442 50.9604 18.6567 176.6568 116 A 4.3265 8.4250 123.8026 53.1009 19.2622 176.6929 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 28 P 0.00 4.41 0.00 2.20 2.16 0.00 3.57 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 29 D 7.92 4.18 0.00 2.80 2.67 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 0.00 0.00 0.00 0.00 30 A 8.18 3.98 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 31 E 8.12 3.90 0.00 2.05 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 2.38 2.37 0.00 32 E 7.94 3.96 0.00 2.11 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 0.00 2.33 2.37 0.00 33 R 8.23 3.95 0.00 2.06 1.99 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 34 Q 8.10 3.96 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 35 T 7.93 3.86 4.40 0.00 0.00 0.00 0.00 0.00 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 36 K 8.20 3.94 0.00 2.04 1.94 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.27 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.70 7.81 37 L 8.11 4.24 0.00 1.92 1.76 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.15 4.05 0.00 2.06 2.03 0.00 3.23 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 39 L 8.34 4.02 0.00 1.83 1.71 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.65 3.84 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 41 Y 8.98 4.59 0.00 3.23 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 42 A 8.28 3.78 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 43 L 8.03 3.78 0.00 1.76 1.67 0.86 0.48 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 44 N 8.28 4.19 0.00 2.84 2.75 0.00 0.00 6.94 8.42 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 45 A 7.95 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.59 3.43 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 1.05 0.00 0.00 0.94 0.00 0.00 47 I 7.69 3.63 1.92 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 1.46 1.33 0.86 0.00 0.00 48 D 8.38 4.30 0.00 2.79 2.69 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 0.00 0.00 0.00 0.00 49 R 7.93 4.00 0.00 1.73 1.97 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 50 A 8.10 4.10 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 51 R 7.75 3.85 0.00 1.96 2.00 0.00 3.16 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 52 L 7.53 4.20 0.00 1.57 1.58 0.90 1.25 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 53 S 8.49 4.31 0.00 4.04 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 54 Q 8.61 3.94 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 55 A 7.96 4.04 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 56 A 8.31 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 57 A 8.51 3.89 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 58 A 8.30 3.99 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 59 A 7.87 3.93 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 60 R 8.14 3.97 0.00 1.85 2.09 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 61 L 8.25 4.30 0.00 1.69 1.71 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.82 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 63 I 7.51 4.65 1.94 0.00 0.00 1.00 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 0.83 0.98 0.00 0.00 64 N 8.38 4.60 0.00 3.02 2.99 0.00 0.00 6.03 7.03 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 65 Q 8.65 4.01 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 66 P 0.00 4.25 0.00 2.15 2.11 0.00 3.68 0.00 0.00 3.77 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 67 K 7.96 4.09 0.00 2.07 2.03 0.00 1.67 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.66 7.81 68 V 7.83 3.62 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 0.97 0.00 0.00 0.97 0.00 0.00 69 S 8.40 4.09 0.00 3.93 4.03 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 0.00 0.00 0.00 70 A 8.12 4.03 1.63 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 71 L 8.04 3.64 0.00 1.74 1.42 0.73 -0.64 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 72 R 7.72 3.95 0.00 1.89 1.96 0.00 3.43 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 73 N 7.84 4.81 0.00 2.83 2.90 0.00 0.00 7.15 7.31 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 74 Y 7.35 3.44 0.00 3.18 3.03 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 0.00 0.00 0.00 75 K 8.37 4.40 0.00 1.91 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.45 7.81 76 L 8.01 5.05 0.00 1.80 1.80 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.43 4.02 0.00 1.95 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 2.34 2.42 0.00 78 G 8.01 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.85 4.84 0.00 3.06 2.96 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 0.00 0.00 0.00 80 S 8.44 4.59 0.00 4.08 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 81 V 8.43 3.60 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 0.93 0.00 0.00 0.96 0.00 0.00 82 E 8.20 4.11 0.00 2.18 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 0.00 2.31 2.41 0.00 83 R 8.23 4.14 0.00 2.01 2.26 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 84 L 8.08 4.18 0.00 1.85 1.60 0.95 0.54 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 *86 T 7.91 4.28 4.40 0.00 0.00 0.00 0.00 0.00 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 87 L 8.22 4.04 0.00 1.76 1.66 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.10 3.95 0.00 1.66 1.69 0.90 0.53 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 89 N 8.43 4.68 0.00 2.93 2.87 0.00 0.00 7.50 7.08 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 90 A 7.92 4.09 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 91 L 7.26 4.48 0.00 1.72 1.64 0.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.86 4.47 0.00 2.83 2.77 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 0.00 0.00 0.00 93 Q 7.92 4.56 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 94 D 8.54 4.51 0.00 2.66 2.59 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 0.00 95 V 8.21 4.20 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 0.81 0.00 0.00 0.98 0.00 0.00 96 E 8.76 4.44 0.00 1.94 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 2.29 0.00 97 I 8.27 4.13 1.88 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 1.31 0.72 0.92 0.00 0.00 98 V 8.19 4.09 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 0.82 0.00 0.00 0.94 0.00 0.00 99 I 8.26 4.42 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 1.42 0.73 0.91 0.00 0.00 100 R 8.19 4.67 0.00 1.73 1.77 0.00 3.22 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 101 K 8.61 4.02 0.00 1.69 1.72 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.49 7.81 102 K 8.36 4.23 0.00 1.90 1.80 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.46 7.81 103 P 0.00 4.41 0.00 2.20 2.01 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 104 R 8.74 3.86 0.00 1.91 2.09 0.00 3.18 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 105 S 7.89 4.55 0.00 3.84 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 0.00 106 R 7.69 4.29 0.00 1.84 1.92 0.00 3.32 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 1.82 1.56 0.00 107 A 8.86 4.09 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 0.00 108 A 7.54 4.73 1.20 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 0.00 0.00 0.00 109 A 8.36 4.28 1.25 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 0.00 0.00 0.00 110 R 8.00 4.67 0.00 1.87 1.87 0.00 3.01 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 111 I 8.04 4.37 1.88 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 1.36 0.62 0.92 0.00 0.00 112 S 8.49 4.85 0.00 3.93 3.81 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 0.00 113 V 8.19 4.38 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 0.88 0.00 0.00 0.96 0.00 0.00 114 V 8.38 4.23 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 0.90 0.00 0.00 0.94 0.00 0.00 115 A 8.71 4.40 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 0.00 116 A 8.43 4.33 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 * Residues marked with a * may have inaccurate shift predictions.