NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1812 8.5445 116.7524 55.7098 30.1938 175.1430 3 L 4.1218 8.2941 125.7399 52.4254 41.0845 174.0280 4 T 4.5093 8.2736 118.5089 58.3218 71.1728 170.9605 5 P 4.5247 0.0000 0.0000 65.5447 31.0623 177.0339 6 E 4.3202 8.1017 114.4998 59.4949 30.5871 184.5758 7 V 3.7723 7.6809 117.7134 64.6621 31.5125 181.4777 8 L 4.4576 7.9108 121.9819 55.2842 41.1198 180.0442 9 T 4.5606 7.3023 115.2397 61.0512 67.4489 179.8229 10 V 3.8561 7.2575 122.9996 59.9446 33.1592 176.0601 11 P 4.7163 0.0000 0.0000 63.1486 31.7742 177.2982 12 L 4.4462 7.7306 122.1240 53.9979 41.3605 175.9426 13 N 4.3221 7.3795 116.5161 53.9066 40.5308 179.6199 14 S 4.4791 8.8046 115.3300 60.5794 62.9200 176.9778 15 E 4.1807 8.2848 115.7211 58.2650 29.7243 183.9119 16 G 5.1585 7.6631 122.8635 46.6625 0.0000 173.0529 17 K 4.3063 7.3755 125.4333 55.0205 33.1525 180.4454 18 T 4.3130 7.8064 105.7377 62.8746 71.9728 170.3927 19 I 4.3145 8.2358 129.4799 60.4103 37.1936 174.4023 20 T 4.3728 7.9796 106.9981 62.6306 69.9603 169.8930 21 L 4.3449 8.1539 131.5972 54.3171 42.2015 175.3698 22 T 4.7966 8.0925 109.6007 60.7133 71.9097 172.3356 23 E 4.3049 8.7223 116.1363 59.9928 30.2803 177.4126 24 K 4.3831 8.1160 120.4189 57.8910 32.9121 185.0000 25 Q 4.1929 8.0409 119.4516 60.6596 27.7133 181.7679 26 Y 4.4799 8.1537 123.6490 61.0299 38.5983 178.5146 27 L 4.0135 7.5167 125.0046 59.2220 41.4419 182.2353 28 E 4.4533 7.6884 116.4771 61.3046 29.9774 183.8216 29 G 3.9745 8.0492 107.8496 47.1259 0.0000 176.3967 30 K 3.7043 7.4324 126.6831 59.0554 31.8205 184.2688 31 R 4.6616 7.4064 118.7284 59.9980 29.2707 183.2830 32 L 4.6070 7.5854 119.5378 58.6758 41.8897 183.2556 33 F 4.6125 8.3044 120.8694 60.0120 39.3157 176.9732 34 Q 4.4981 8.0555 116.5433 55.9021 29.1293 181.3404 *35 Y 4.6021 7.6621 113.4071 57.7149 38.8129 181.9674 36 A 4.6280 7.6022 122.2224 54.1464 20.5359 176.5402 37 C 4.7836 7.8896 114.5204 57.1187 45.2746 178.7796 38 A 4.0015 7.6079 121.5225 54.4370 18.0011 179.7950 39 S 4.3160 7.8962 114.1808 60.8695 62.3710 181.8569 40 C 4.9870 8.0865 112.0796 56.1875 37.5262 179.4675 41 H 5.5232 7.7968 117.4675 55.6752 29.1566 175.7692 42 V 3.7276 7.6639 116.6552 62.2901 31.1474 177.8037 43 G 3.7079 8.7607 114.5513 45.1703 0.0000 173.5933 44 G 4.1629 8.3644 112.0641 45.9288 0.0000 175.6311 45 I 4.4460 7.4255 119.2523 60.1306 37.1559 180.3110 46 T 5.1298 8.3124 110.1417 61.5683 71.8905 170.3822 47 K 4.3644 8.3596 127.7464 55.5285 33.1504 175.9589 48 T 4.7967 7.3978 110.3505 59.6420 69.1906 177.9589 49 N 4.7502 7.5717 119.7489 52.0867 41.7084 176.2415 50 P 4.5343 0.0000 0.0000 62.6345 29.6421 176.5442 51 S 3.7950 8.2537 123.7076 59.2388 59.5468 173.7699 52 L 4.8610 7.5434 127.3460 53.3858 41.6927 177.0907 53 D 5.0633 7.9656 123.6884 53.9768 41.2111 178.1980 54 L 4.7246 7.9389 117.3022 55.9804 41.5958 176.4084 55 R 3.2900 7.3133 120.1475 57.3330 29.8098 180.7187 56 T 4.2179 8.1144 109.7179 63.1831 68.1099 176.3158 57 E 4.5578 7.8583 118.4531 57.6016 31.8811 182.3399 58 T 4.4814 7.8766 115.0250 65.8395 69.8727 182.9284 59 L 4.2683 7.6606 123.5836 59.1242 40.9089 181.6348 60 A 4.3879 8.0344 121.3281 54.8042 18.4776 179.0296 61 L 4.3988 7.0918 118.2681 55.7622 41.4426 181.6526 62 A 4.4313 7.6446 124.3079 53.7648 19.2508 178.5557 63 T 4.4209 8.0144 112.7237 59.1933 69.7179 170.1466 64 P 4.5937 0.0000 0.0000 60.1207 31.9520 173.7258 65 P 4.4171 0.0000 0.0000 64.7133 30.6048 177.9339 66 R 4.6632 8.3385 126.5781 55.9723 29.8800 173.9114 67 D 4.6106 8.2427 119.4682 54.9718 40.0064 179.0257 68 N 5.0165 7.7886 118.8735 52.8166 38.6172 180.5573 69 I 4.3030 8.1595 113.0523 62.8469 36.6187 173.5283 70 E 4.2058 8.1867 112.3220 56.7685 30.4263 182.2695 71 G 4.0135 7.9920 105.9332 47.9896 0.0000 176.5311 72 L 4.0451 7.5596 127.3592 59.6271 40.7578 182.8894 73 V 4.0040 7.2374 120.5326 66.8736 31.9641 181.8135 74 D 4.8000 8.1857 123.5934 58.8782 39.5542 180.7589 *75 Y 4.5269 7.3819 121.8184 62.4115 36.7980 182.1195 76 M 4.5410 7.8056 121.5545 60.8870 31.3273 184.2458 77 K 4.2141 8.0917 122.3910 57.7918 32.4896 180.4187 78 N 4.8006 7.7027 120.6467 49.9145 35.9990 175.2126 79 P 4.5431 0.0000 0.0000 63.2948 31.9524 177.8084 80 T 4.9166 8.2223 114.7956 60.0892 72.5259 174.0368 81 T 4.5877 7.8739 107.0701 62.2979 68.4353 167.3155 *82 Y 3.6123 7.5225 125.9902 58.5854 36.3189 173.6279 83 D 4.2076 8.1153 123.0209 54.4115 40.7104 179.2557 84 G 3.9180 7.6691 107.0188 48.0934 0.0000 174.9635 85 E 4.3356 8.5959 117.6574 57.3777 31.6928 179.6472 86 Q 4.3140 7.9699 121.7617 53.6163 28.3130 177.6154 87 E 4.0718 8.9057 123.2764 56.1130 30.3399 175.0999 88 I 4.4147 8.0907 127.4455 58.3349 35.3184 173.3618 89 A 4.4410 7.9418 126.0441 54.1137 19.1307 178.9369 90 E 4.6361 8.0368 112.0940 56.4022 32.7967 184.0796 91 V 3.8546 8.0504 113.4617 64.0798 32.0583 180.7723 92 H 4.8913 7.4944 120.7194 53.8892 31.1952 173.3685 93 P 4.3384 0.0000 0.0000 62.7499 31.1662 176.1671 94 S 4.8718 8.3659 120.6570 55.6637 66.5116 172.4580 95 L 4.1781 8.0402 120.9142 58.4212 40.7172 179.0362 96 R 4.2459 8.0910 116.3756 59.0245 30.2389 183.1567 97 S 4.6824 7.4114 114.7786 56.8608 60.9209 179.1634 98 A 4.3734 8.0355 129.6281 54.6512 19.0951 179.9874 99 D 4.4690 8.2796 116.9956 56.8519 40.2853 183.9917 100 I 4.0192 7.9152 118.8373 62.7982 36.1799 179.4313 *101 F 4.4452 7.9691 126.8575 55.5765 36.1955 176.3948 102 P 4.6102 0.0000 0.0000 62.5193 31.2118 177.8413 103 K 4.2368 7.7621 122.5913 59.0348 31.9045 183.1765 104 M 4.5897 7.9612 119.1483 54.9916 31.3815 180.7164 105 R 4.0329 8.1290 123.2550 60.7073 29.7984 181.7734 106 N 4.6119 8.1983 116.6098 54.8961 38.1667 178.8978 107 L 4.1986 7.4067 119.8440 55.3698 41.6186 180.7098 108 T 4.8751 8.1081 117.0233 59.4325 71.2814 174.3016 109 E 4.3425 8.8372 116.0100 59.5535 29.8767 174.4352 110 K 4.2308 7.8220 122.8655 58.8513 31.7121 183.6543 111 D 4.6892 8.0857 118.6483 54.5451 40.7978 180.9589 112 L 4.0882 8.0385 121.3694 58.9685 41.2214 185.0000 113 V 3.9969 7.7324 114.6887 61.7565 32.4358 179.5703 114 A 4.2369 8.0149 123.4248 56.6633 18.5283 180.2498 115 I 3.7566 7.4688 116.9386 64.2406 35.1391 180.0665 116 A 4.1591 7.5851 119.3814 55.6009 18.7185 179.8230 117 G 3.6392 7.8012 103.5507 47.3182 0.0000 175.2959 118 H 4.5416 8.1975 122.9785 59.6969 29.6211 177.9518 119 I 3.8066 7.0691 123.6907 65.5070 35.4199 181.3173 120 L 4.4122 7.5139 125.4857 60.0530 41.1176 182.1226 121 V 4.0666 7.9259 122.4064 66.1441 31.3003 180.7949 122 E 4.4585 8.0276 119.0466 61.1538 29.6209 181.3174 123 P 5.2281 0.0000 0.0000 65.4429 31.2767 180.7570 124 K 4.6878 7.7592 120.1012 55.9960 32.6194 183.1557 125 I 3.9566 7.9226 119.0460 63.1962 35.7320 180.9821 126 L 4.9726 7.6773 117.9340 52.1448 44.5242 179.3765 127 G 3.8597 8.8088 106.5041 50.5016 0.0000 175.5667 128 D 4.6937 7.8320 114.9442 53.6048 44.9184 177.7501 129 K 4.4535 7.9894 120.1878 54.8167 32.5935 182.2430 130 W 4.7745 8.5475 132.2469 56.8820 30.9279 174.4578 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 E 8.54 4.18 0.00 2.01 1.87 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 2.13 1.88 0.00 3 L 8.29 4.12 0.00 1.74 1.52 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.27 4.51 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 5 P 0.00 4.52 0.00 2.08 1.98 0.00 3.70 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 1.94 1.58 0.00 6 E 8.10 4.32 0.00 1.98 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 2.19 1.86 0.00 7 V 7.68 3.77 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 0.63 0.00 0.00 0.93 0.00 0.00 8 L 7.91 4.46 0.00 1.57 1.65 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.30 4.56 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 10 V 7.26 3.86 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 0.74 0.00 0.00 0.93 0.00 0.00 11 P 0.00 4.72 0.00 2.19 2.19 0.00 3.61 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 2.14 1.94 0.00 12 L 7.73 4.45 0.00 1.65 1.56 0.92 0.88 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 13 N 7.38 4.32 0.00 2.68 2.56 0.00 0.00 6.70 7.64 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 14 S 8.80 4.48 0.00 3.62 3.79 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 15 E 8.28 4.18 0.00 1.98 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 1.87 0.00 16 G 7.66 5.16 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 17 K 7.38 4.31 0.00 1.70 1.74 0.00 1.84 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.44 1.00 7.81 18 T 7.81 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 19 I 8.24 4.31 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 1.16 1.12 0.91 0.00 0.00 20 T 7.98 4.37 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 21 L 8.15 4.34 0.00 1.48 1.52 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.09 4.80 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 23 E 8.72 4.30 0.00 1.89 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 2.31 1.87 0.00 24 K 8.12 4.38 0.00 1.67 1.83 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 0.99 7.81 25 Q 8.04 4.19 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.88 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 26 Y 8.15 4.48 0.00 3.06 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 27 L 7.52 4.01 0.00 1.88 1.57 0.92 0.87 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 28 E 7.69 4.45 0.00 2.10 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 2.24 2.19 0.00 29 G 8.05 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 30 K 7.43 3.70 0.00 1.89 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 31 R 7.41 4.66 0.00 2.02 1.85 0.00 3.22 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 32 L 7.59 4.61 0.00 1.64 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.30 4.61 0.00 3.17 3.11 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 34 Q 8.06 4.50 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.57 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 *35 Y 7.66 4.60 0.00 2.28 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 0.00 0.00 0.00 0.00 36 A 7.60 4.63 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 C 7.89 4.78 0.00 2.72 3.02 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 38 A 7.61 4.00 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 39 S 7.90 4.32 0.00 3.64 3.79 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 40 C 8.09 4.99 0.00 2.65 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 41 H 7.80 5.52 0.00 3.10 3.18 0.00 5.59 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.66 3.73 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 0.73 0.00 0.00 0.93 0.00 0.00 43 G 8.76 3.71 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 0.00 0.00 0.00 44 G 8.36 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 45 I 7.43 4.45 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 0.70 0.91 0.00 0.00 46 T 8.31 5.13 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 47 K 8.36 4.36 0.00 1.81 1.74 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 1.24 7.81 48 T 7.40 4.80 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 49 N 7.57 4.75 0.00 2.68 2.54 0.00 0.00 6.85 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 50 P 0.00 4.53 0.00 2.08 1.89 0.00 3.87 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 1.92 1.58 0.00 51 S 8.25 3.80 0.00 3.77 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 4.86 0.00 1.60 1.46 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.97 5.06 0.00 2.69 2.51 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 0.00 0.00 0.00 0.00 54 L 7.94 4.72 0.00 1.56 1.54 0.92 0.86 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 55 R 7.31 3.29 0.00 1.73 1.84 0.00 3.22 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 56 T 8.11 4.22 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 57 E 7.86 4.56 0.00 1.95 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 2.12 1.83 0.00 58 T 7.88 4.48 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 59 L 7.66 4.27 0.00 1.65 1.70 0.92 1.02 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 60 A 8.03 4.39 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 61 L 7.09 4.40 0.00 1.89 1.56 0.92 0.80 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 62 A 7.64 4.43 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 63 T 8.01 4.42 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 64 P 0.00 4.59 0.00 2.08 1.86 0.00 3.73 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 1.94 1.58 0.00 65 P 0.00 4.42 0.00 2.08 1.91 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 1.60 0.00 66 R 8.34 4.66 0.00 1.85 1.81 0.00 3.23 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 67 D 8.24 4.61 0.00 2.69 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 68 N 7.79 5.02 0.00 2.64 2.76 0.00 0.00 6.87 7.59 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 69 I 8.16 4.30 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 1.16 0.61 0.91 0.00 0.00 70 E 8.19 4.21 0.00 1.97 1.87 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 2.16 1.86 0.00 71 G 7.99 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 72 L 7.56 4.05 0.00 1.86 1.68 0.92 0.93 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 73 V 7.24 4.00 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 0.90 0.00 0.00 0.93 0.00 0.00 74 D 8.19 4.80 0.00 2.68 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 *75 Y 7.38 4.53 0.00 2.47 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 0.00 0.00 0.00 76 M 7.81 4.54 0.00 2.06 2.10 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 2.53 2.43 0.00 77 K 8.09 4.21 0.00 1.77 1.75 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.00 7.81 78 N 7.70 4.80 0.00 2.77 2.66 0.00 0.00 6.99 7.41 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 79 P 0.00 4.54 0.00 2.08 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 1.94 1.60 0.00 80 T 8.22 4.92 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 81 T 7.87 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 *82 Y 7.52 3.61 0.00 2.39 2.22 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 83 D 8.12 4.21 0.00 2.69 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 84 G 7.67 3.92 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 0.00 0.00 0.00 85 E 8.60 4.34 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 1.83 0.00 86 Q 7.97 4.31 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.01 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 87 E 8.91 4.07 0.00 1.98 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 2.23 1.87 0.00 88 I 8.09 4.41 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 1.35 0.60 0.91 0.00 0.00 89 A 7.94 4.44 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 90 E 8.04 4.64 0.00 1.95 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 2.10 1.82 0.00 91 V 8.05 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 0.87 0.00 0.00 0.93 0.00 0.00 92 H 7.49 4.89 0.00 3.20 3.24 0.00 5.72 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.34 0.00 2.13 1.83 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 1.94 1.58 0.00 94 S 8.37 4.87 0.00 3.58 3.69 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 95 L 8.04 4.18 0.00 1.54 1.62 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.09 4.25 0.00 1.82 1.87 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 97 S 7.41 4.68 0.00 3.58 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.37 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 99 D 8.28 4.47 0.00 2.71 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 0.00 100 I 7.92 4.02 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 1.12 0.91 0.00 0.00 *101 F 7.97 4.45 0.00 2.21 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 0.00 102 P 0.00 4.61 0.00 2.08 1.96 0.00 3.70 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 1.93 1.58 0.00 103 K 7.76 4.24 0.00 1.90 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.25 7.81 104 M 7.96 4.59 0.00 1.93 2.04 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 2.57 2.09 0.00 105 R 8.13 4.03 0.00 1.82 1.88 0.00 3.23 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 1.55 1.19 0.00 106 N 8.20 4.61 0.00 2.74 2.75 0.00 0.00 6.54 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 0.00 107 L 7.41 4.20 0.00 1.55 1.49 0.92 0.82 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 0.00 108 T 8.11 4.88 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 0.00 109 E 8.84 4.34 0.00 1.98 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 1.87 0.00 110 K 7.82 4.23 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.25 7.81 111 D 8.09 4.69 0.00 2.60 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.09 0.00 1.57 1.70 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.73 4.00 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 0.70 0.00 0.00 0.93 0.00 0.00 114 A 8.01 4.24 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 0.00 115 I 7.47 3.76 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 1.45 0.70 0.91 0.00 0.00 116 A 7.59 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.80 3.64 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 0.00 0.00 0.00 118 H 8.20 4.54 0.00 3.28 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.07 3.81 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 1.38 0.80 0.91 0.00 0.00 120 L 7.51 4.41 0.00 1.74 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.93 4.07 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 0.00 122 E 8.03 4.46 0.00 2.02 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 2.26 2.20 0.00 123 P 0.00 5.23 0.00 2.16 1.96 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 1.91 1.64 0.00 124 K 7.76 4.69 0.00 1.78 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.22 7.81 125 I 7.92 3.96 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 1.10 0.91 0.00 0.00 126 L 7.68 4.97 0.00 1.61 1.46 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.81 3.86 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 0.00 0.00 0.00 128 D 7.83 4.69 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.99 4.45 0.00 1.77 1.62 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 0.99 7.81 130 W 8.55 4.77 0.00 3.29 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 * Residues marked with a * may have inaccurate shift predictions.