NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5395 8.1933 115.5612 57.9307 65.2901 172.0732 1 L 4.6305 8.3561 119.8746 54.3618 42.3310 175.4816 2 R 4.7319 10.0807 122.1238 54.5714 35.6102 173.6746 3 I 4.6941 8.6767 122.5826 59.8314 39.3168 174.7098 4 L 4.6873 8.6350 129.5969 54.1263 43.6692 175.3602 5 G 4.4909 9.0327 113.1485 44.4521 0.0000 172.0728 6 L 5.5026 9.1216 122.8449 52.7569 46.5942 175.1641 7 D 4.9361 9.0041 121.3570 52.4861 43.9337 174.0827 8 L 4.5474 8.7567 128.9712 53.9762 43.0896 175.7144 9 G 4.2724 8.5171 115.1492 43.4382 0.0000 172.6205 10 T 3.9451 8.5439 110.5646 64.3067 69.1577 176.7015 11 K 4.8163 8.1915 120.1696 53.1130 34.1527 177.2616 12 T 5.2404 7.4639 106.8981 60.6954 72.7861 172.6709 13 L 4.9631 9.2403 126.5059 53.2664 44.4398 175.4639 14 G 4.1555 9.0419 115.3691 45.8917 0.0000 171.8453 15 V 5.0955 8.8579 124.1045 60.9278 34.4898 174.2023 16 A 5.2692 9.0364 128.6562 50.1541 22.9763 174.2825 17 L 5.0858 8.6974 120.6395 53.0924 45.8594 176.0719 18 S 4.8407 8.5665 120.5331 58.1708 64.0275 173.6273 19 D 4.6939 8.6168 124.5586 52.6128 40.8929 178.2111 20 E 4.1851 8.5481 114.2823 55.6718 28.5635 174.8407 *22 G 3.9280 7.9611 105.9753 46.1712 0.0000 174.4564 23 W 4.6485 9.0701 130.5241 58.0120 32.4133 175.6223 24 T 4.8883 8.2055 106.4843 59.6611 71.8076 172.4754 25 A 5.0429 8.7294 124.6862 50.8652 20.4329 176.6572 26 Q 4.6592 9.3452 121.9056 53.8888 31.9219 175.4612 27 G 3.9660 8.6320 109.5657 46.5647 0.0000 172.3013 28 I 4.4835 8.2712 122.5589 61.3951 39.0032 175.3389 29 E 4.6810 7.5928 119.5145 55.9856 33.1974 173.8559 30 T 4.8825 8.4771 119.7701 61.7451 70.2359 174.0631 31 I 4.0856 8.9535 131.7781 61.3248 38.4931 176.3994 32 K 4.7002 8.6458 131.0886 55.0300 32.5754 173.2264 33 I 4.6794 8.2163 118.0535 59.5672 41.8312 173.1239 34 N 4.5485 8.5466 116.9224 53.6671 40.0485 175.9324 35 E 3.4914 8.5290 120.8831 58.6616 29.9415 175.3198 36 A 3.5745 8.0797 123.5018 55.1433 18.2307 178.4395 37 E 4.4758 8.1009 108.1788 55.2549 31.0240 179.3065 38 G 3.8255 8.8634 106.8608 47.4454 0.0000 173.4674 39 D 4.5658 8.6595 121.6550 52.9327 41.0039 175.9013 40 Y 4.2707 8.6263 123.5887 57.3489 39.1406 176.8048 41 G 4.0020 8.4976 108.3358 46.4105 0.0000 175.7184 42 L 4.1868 8.1842 121.8898 57.8187 41.5610 179.5024 43 S 4.1851 8.1011 114.5614 61.6502 62.7746 176.6203 44 R 4.1118 7.9849 120.9768 59.0677 29.9603 177.9460 45 L 4.0434 8.1257 120.2520 58.3370 41.8874 179.0309 46 S 4.3130 8.1097 113.7726 61.6164 63.1616 176.2431 47 E 4.1293 8.1857 120.0276 59.7516 29.0682 178.8342 48 L 4.0525 8.4763 120.2940 56.8258 42.0240 178.7439 49 I 4.5880 7.7658 110.4060 60.5876 37.7553 177.5535 50 K 3.9847 8.1945 123.4858 60.6168 32.5325 178.5831 51 D 4.3290 7.8448 116.7070 54.5031 40.0333 179.4703 52 Y 4.7456 7.4800 114.5551 57.1516 40.4513 175.0291 53 T 4.5427 8.0429 110.8084 60.3162 70.8177 173.0483 54 I 5.4037 8.6265 128.0017 59.4746 38.0332 175.5667 55 D 4.8621 8.5354 125.5556 52.9414 40.5299 175.9162 56 K 4.5452 7.3221 118.3203 55.8789 35.8237 173.4998 57 I 4.9025 8.0969 125.7755 59.4319 40.6471 174.4022 58 V 4.5267 8.7198 127.2640 60.8870 33.8091 173.9587 59 L 5.2380 8.9403 130.0606 52.7949 44.8811 175.7226 60 G 4.1484 8.8675 114.5252 46.7617 0.0000 172.4186 61 F 5.0851 9.0155 127.1458 55.2738 41.9780 172.8946 62 P 4.2178 0.0000 0.0000 62.3574 31.6454 176.3984 63 K 4.2448 8.2623 119.9143 56.9298 34.3956 177.5522 64 N 4.6936 8.3779 121.4647 53.6971 36.9437 177.0785 *66 N 4.4644 8.9243 120.0913 53.9020 38.9719 173.0821 67 G 4.0267 8.3435 108.3372 45.0653 0.0000 171.1582 68 T 4.4882 7.5386 116.3100 61.6851 69.8942 174.4845 69 V 4.4236 7.7842 125.9070 60.4501 32.6974 177.0282 70 G 3.9503 8.2623 110.5959 42.9508 0.0000 172.6797 71 P 4.3424 0.0000 0.0000 66.3000 31.1652 179.9634 72 R 4.0998 7.9644 119.1493 61.1723 29.3763 180.9779 73 G 3.5436 8.0145 107.6378 48.2218 0.0000 176.3194 74 E 4.1073 8.3280 120.5006 61.0215 29.7063 181.8620 75 A 4.2814 8.2011 122.0580 55.0473 18.3454 180.0087 76 S 4.2900 8.3831 114.0205 61.8844 62.9889 176.9018 77 Q 4.0955 8.9312 121.3627 59.2020 28.3769 178.8970 78 T 3.9332 8.0484 116.9088 66.5744 68.4101 176.6126 79 F 4.2981 8.7381 122.7725 61.2045 39.3123 177.0510 80 A 3.8969 8.3374 120.7534 54.8373 18.0220 179.8715 81 K 3.8472 7.9052 116.6108 59.4897 32.0952 179.4388 82 V 3.4887 7.7774 118.6042 66.1558 31.2888 177.7486 83 L 3.8865 7.7535 118.5375 57.8765 41.4995 178.9502 84 E 4.0699 8.4083 119.5194 59.8565 29.3457 179.1082 85 T 4.0104 7.9072 108.1024 64.4321 69.0534 176.7867 86 T 3.7935 7.7067 118.4298 66.1374 68.6851 175.6775 87 Y 4.4914 7.8620 115.1115 56.5141 39.2978 174.8692 88 N 4.2473 8.0861 118.0375 54.8680 38.0826 173.7384 89 V 4.6440 7.3278 107.6700 58.5549 36.2333 175.2961 90 P 4.3657 0.0000 0.0000 62.9845 32.5943 175.3150 91 V 4.6913 8.2648 122.7032 61.1180 33.9186 174.5119 92 V 4.3066 8.6136 128.7714 61.0171 33.2722 174.6464 93 L 4.7506 8.4804 128.5808 54.5090 42.3484 176.2553 94 W 5.1927 9.3618 132.6936 56.1897 34.4739 174.5089 95 D 4.6528 7.5298 121.1862 53.3636 42.8779 174.5301 96 E 4.0578 6.4288 120.3248 56.2749 29.5327 175.2281 97 R 4.8763 7.9820 121.2016 54.8041 32.0381 174.0977 98 L 3.9636 8.4447 120.7845 55.2204 42.3277 176.8170 99 T 4.1936 8.3345 116.0119 61.6277 69.7054 175.9173 100 T 4.1214 8.2829 115.7331 64.0124 67.5706 176.4516 *102 A 4.2097 8.1710 126.4728 52.2595 20.6064 179.8675 103 A 3.8585 8.2647 117.9607 55.4631 18.8552 178.3628 104 E 4.0570 8.4591 116.7655 59.6078 29.7685 179.6776 105 K 3.9337 7.5353 113.8491 57.7809 32.2409 178.5400 *107 L 4.2526 8.0004 120.9389 54.9968 43.7221 179.1472 108 I 3.6534 8.1612 119.2978 64.3841 37.1032 178.3541 109 A 4.1965 8.1694 121.6252 54.5071 18.2086 177.8395 110 A 4.3541 7.7904 116.3271 51.9523 19.2502 177.0259 111 D 4.5847 8.5506 115.1211 54.9150 38.6883 174.4635 112 V 3.7860 7.6747 119.3922 62.3047 32.1910 176.8404 113 S 4.3123 8.4619 121.7663 58.0258 64.9683 175.0287 114 R 3.9172 8.7960 126.1661 60.8832 29.8518 179.5517 115 Q 4.0784 8.0183 119.5091 59.8923 28.1456 179.8588 116 K 4.2020 8.0215 120.3118 59.3733 32.1457 179.0702 117 R 3.8979 8.1702 118.6719 59.1758 30.0754 178.7611 118 K 3.8787 7.8105 118.6391 59.4779 32.1657 178.7093 119 K 3.9192 7.8475 118.1591 59.7523 31.8034 179.7531 120 V 3.6502 7.7094 111.0661 64.4959 31.5423 178.3853 121 I 3.8595 7.7261 118.5699 64.4182 36.9708 178.0353 122 D 4.5366 7.9954 118.8160 57.0717 40.7493 179.3931 123 K 3.9232 8.0096 115.4416 57.2929 32.0495 177.0798 *125 A 4.3745 7.9225 121.4299 51.7269 20.4759 178.9020 126 A 4.1629 7.8762 118.1681 55.3317 18.8262 180.1897 127 V 3.9591 7.6511 113.4650 63.5114 31.1627 177.7175 *129 I 4.2933 7.9267 120.4964 60.9069 39.1415 177.9300 130 L 3.9220 8.2254 121.6619 58.1415 41.7895 178.7110 131 Q 4.0766 8.6358 120.1959 59.0473 28.9474 178.5101 132 G 4.0355 8.0553 107.8007 47.2768 0.0000 174.9599 133 Y 2.9409 8.1322 121.9820 60.1432 38.7541 178.0801 134 L 3.6838 8.1220 120.2423 57.9139 41.4843 179.3591 135 D 4.1285 8.0154 118.0247 57.1350 40.8095 178.5356 136 S 4.2201 7.8244 113.9066 61.1497 62.2174 175.9154 137 L 3.7370 7.2463 122.0935 57.9895 41.8698 178.1949 138 N 4.5576 7.8305 114.3608 54.6438 38.6504 174.7470 139 E 4.1246 7.6648 126.3654 56.3033 29.7425 175.9082 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 0 S 8.19 4.54 0.00 3.94 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.63 0.00 1.64 1.79 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 2 R 10.08 4.73 0.00 1.54 1.59 0.00 2.94 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 3 I 8.68 4.69 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 0.81 0.00 0.00 4 L 8.63 4.69 0.00 1.64 1.39 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.03 4.49 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 0.00 0.00 0.00 6 L 9.12 5.50 0.00 1.63 1.67 0.97 0.79 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 D 9.00 4.94 0.00 2.73 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 8 L 8.76 4.55 0.00 1.58 1.54 0.52 0.65 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 9 G 8.52 4.27 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 0.00 10 T 8.54 3.95 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 1.19 0.00 0.00 11 K 8.19 4.82 0.00 1.66 1.79 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 0.91 7.81 12 T 7.46 5.24 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 1.20 0.00 0.00 13 L 9.24 4.96 0.00 1.72 1.59 1.09 1.43 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 14 G 9.04 4.16 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 0.00 15 V 8.86 5.10 2.17 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 1.02 0.00 0.00 1.01 0.00 0.00 16 A 9.04 5.27 1.19 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 17 L 8.70 5.09 0.00 1.50 1.25 -0.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.57 4.84 0.00 3.92 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 19 D 8.62 4.69 0.00 2.73 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 20 E 8.55 4.19 0.00 2.01 1.88 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 2.23 1.88 0.00 *22 G 7.96 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 23 W 9.07 4.65 0.00 3.24 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 24 T 8.21 4.89 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 1.35 0.00 0.00 25 A 8.73 5.04 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 26 Q 9.35 4.66 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 27 G 8.63 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.27 4.48 1.98 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 1.07 0.92 0.96 0.00 0.00 29 E 7.59 4.68 0.00 2.01 1.75 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 0.00 2.23 2.28 0.00 30 T 8.48 4.88 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 1.21 0.00 0.00 31 I 8.95 4.09 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.94 0.00 0.00 32 K 8.65 4.70 0.00 1.54 1.60 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.00 7.81 33 I 8.22 4.68 1.84 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 1.20 0.57 0.94 0.00 0.00 34 N 8.55 4.55 0.00 2.60 2.84 0.00 0.00 7.02 7.28 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 35 E 8.53 3.49 0.00 1.91 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 0.00 2.32 1.90 0.00 36 A 8.08 3.57 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 37 E 8.10 4.48 0.00 1.97 1.83 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 2.13 1.84 0.00 38 G 8.86 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 39 D 8.66 4.57 0.00 2.49 2.61 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 0.00 0.00 0.00 40 Y 8.63 4.27 0.00 3.10 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 41 G 8.50 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 42 L 8.18 4.19 0.00 1.90 1.84 1.31 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.10 4.19 0.00 3.91 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 44 R 7.98 4.11 0.00 1.96 1.97 0.00 3.28 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 45 L 8.13 4.04 0.00 2.04 1.98 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.11 4.31 0.00 4.21 4.04 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 47 E 8.19 4.13 0.00 2.23 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 0.00 2.58 2.56 0.00 48 L 8.48 4.05 0.00 1.81 1.89 0.96 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.77 4.59 1.90 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 0.89 0.00 0.00 50 K 8.19 3.98 0.00 1.91 2.02 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.36 7.81 51 D 7.84 4.33 0.00 2.72 2.62 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 52 Y 7.48 4.75 0.00 2.93 2.84 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 53 T 8.04 4.54 4.27 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 1.24 0.00 0.00 54 I 8.63 5.40 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.29 0.85 0.00 0.00 55 D 8.54 4.86 0.00 2.65 2.75 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 0.00 0.00 0.00 0.00 56 K 7.32 4.55 0.00 1.76 1.55 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.40 7.81 57 I 8.10 4.90 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.47 0.83 0.00 0.00 58 V 8.72 4.53 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 0.72 0.00 0.00 -0.07 0.00 0.00 59 L 8.94 5.24 0.00 1.79 1.53 1.20 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.87 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 0.00 0.00 0.00 61 F 9.02 5.09 0.00 3.15 2.98 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 0.00 0.00 0.00 62 P 0.00 4.22 0.00 1.95 1.86 0.00 3.10 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.71 0.00 63 K 8.26 4.24 0.00 1.72 1.77 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.42 7.81 64 N 8.38 4.69 0.00 2.78 2.11 0.00 0.00 6.50 6.92 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 *66 N 8.92 4.46 0.00 2.70 2.80 0.00 0.00 6.96 7.98 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 67 G 8.34 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 0.00 0.00 0.00 68 T 7.54 4.49 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 69 V 7.78 4.42 2.18 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 1.11 0.00 0.00 1.05 0.00 0.00 70 G 8.26 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 0.00 0.00 0.00 71 P 0.00 4.34 0.00 2.16 2.11 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 72 R 7.96 4.10 0.00 1.82 1.94 0.00 3.25 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 73 G 8.01 3.54 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 0.00 0.00 0.00 74 E 8.33 4.11 0.00 1.99 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 2.24 2.20 0.00 75 A 8.20 4.28 1.43 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 0.00 0.00 0.00 76 S 8.38 4.29 0.00 4.19 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 77 Q 8.93 4.10 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.78 0.00 78 T 8.05 3.93 4.42 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 0.00 0.00 0.00 1.19 0.00 0.00 79 F 8.74 4.30 0.00 3.15 3.30 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 80 A 8.34 3.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 3.85 0.00 1.98 1.83 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 82 V 7.78 3.49 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 83 L 7.75 3.89 0.00 1.74 1.63 0.61 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.41 4.07 0.00 2.16 2.01 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 2.29 2.44 0.00 85 T 7.91 4.01 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 1.21 0.00 0.00 86 T 7.71 3.79 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 87 Y 7.86 4.49 0.00 3.01 2.94 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 88 N 8.09 4.25 0.00 2.77 2.82 0.00 0.00 6.90 7.72 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 89 V 7.33 4.64 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 0.87 0.00 0.00 0.95 0.00 0.00 90 P 0.00 4.37 0.00 2.04 1.95 0.00 3.71 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 2.10 2.08 0.00 91 V 8.26 4.69 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 0.72 0.00 0.00 1.01 0.00 0.00 92 V 8.61 4.31 1.75 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 1.03 0.00 0.00 0.84 0.00 0.00 93 L 8.48 4.75 0.00 1.34 1.21 0.02 0.82 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 94 W 9.36 5.19 0.00 3.41 2.91 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 95 D 7.53 4.65 0.00 2.76 2.40 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 0.00 96 E 6.43 4.06 0.00 1.47 1.43 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 2.47 2.25 0.00 97 R 7.98 4.88 0.00 1.98 2.00 0.00 3.16 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 98 L 8.44 3.96 0.00 1.61 1.65 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.33 4.19 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 1.25 0.00 0.00 100 T 8.28 4.12 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 *102 A 8.17 4.21 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 0.00 103 A 8.26 3.86 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 0.00 104 E 8.46 4.06 0.00 2.13 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 2.31 2.34 0.00 105 K 7.54 3.93 0.00 2.02 1.81 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 *107 L 8.00 4.25 0.00 1.93 1.75 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.16 3.65 2.12 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 0.60 0.91 0.00 0.00 109 A 8.17 4.20 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 0.00 110 A 7.79 4.35 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 0.00 111 D 8.55 4.58 0.00 2.81 2.84 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 0.00 112 V 7.67 3.79 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 0.77 0.00 0.00 0.99 0.00 0.00 113 S 8.46 4.31 0.00 4.08 3.98 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 0.00 0.00 0.00 114 R 8.80 3.92 0.00 1.89 1.99 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 115 Q 8.02 4.08 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 116 K 8.02 4.20 0.00 1.85 1.96 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.48 7.81 117 R 8.17 3.90 0.00 2.07 1.97 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 118 K 7.81 3.88 0.00 1.86 1.93 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 119 K 7.85 3.92 0.00 2.11 1.85 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.36 7.81 120 V 7.71 3.65 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 0.77 0.00 0.00 1.02 0.00 0.00 121 I 7.73 3.86 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 1.52 0.56 0.91 0.00 0.00 122 D 8.00 4.54 0.00 2.91 2.72 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 0.00 0.00 0.00 123 K 8.01 3.92 0.00 1.71 2.01 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 *125 A 7.92 4.37 1.40 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 0.00 0.00 0.00 126 A 7.88 4.16 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.65 3.96 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 1.03 0.00 0.00 0.95 0.00 0.00 *129 I 7.93 4.29 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 1.10 0.00 0.00 130 L 8.23 3.92 0.00 1.73 1.70 0.88 0.82 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 0.00 131 Q 8.64 4.08 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 132 G 8.06 4.04 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 0.00 0.00 0.00 133 Y 8.13 2.94 0.00 1.82 2.71 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 0.00 0.00 0.00 0.00 134 L 8.12 3.68 0.00 1.52 1.54 0.88 1.02 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 0.00 135 D 8.02 4.13 0.00 2.69 2.61 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 0.00 0.00 0.00 136 S 7.82 4.22 0.00 4.35 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 0.00 137 L 7.25 3.74 0.00 1.16 1.52 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 138 N 7.83 4.56 0.00 2.65 2.93 0.00 0.00 7.01 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 0.00 139 E 7.66 4.12 0.00 2.00 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 2.31 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.