NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5288 8.3349 115.5395 58.0510 64.8079 172.9227 3 I 3.4241 8.4567 124.3285 60.4067 38.1756 173.5191 4 K 4.7339 9.8828 128.2065 55.4599 33.9098 175.6814 5 V 4.8712 8.9003 125.5187 61.2426 34.4698 174.0247 6 C 5.3390 8.9663 124.2824 58.0079 31.8369 172.8597 7 I 4.9332 8.4270 121.7061 59.4590 40.2837 174.3600 8 A 4.9880 8.7838 128.7166 50.4774 21.3524 174.6651 9 D 4.7210 8.7034 120.5639 53.8753 45.0188 175.7890 10 D 4.8872 8.9077 122.7378 53.3747 40.3553 176.6502 11 N 4.6276 8.6281 120.1506 52.7832 38.8166 175.1104 12 R 4.0514 8.3053 128.3048 58.9619 30.2609 178.4474 13 E 3.9508 8.2076 118.8560 59.0982 29.6486 178.4487 14 L 3.9990 8.4161 120.4394 58.1468 42.1961 178.9475 15 V 3.6468 8.0075 118.2159 66.2883 31.4229 177.9778 16 S 4.2347 8.2637 112.7446 61.2877 62.1943 176.1048 17 L 4.0519 8.1914 121.8164 57.7214 41.2892 179.4283 18 L 4.1273 8.3735 119.2881 57.8327 41.5174 178.9845 19 D 4.3250 8.6012 118.3010 57.4333 41.2261 177.5421 20 E 3.9179 8.3481 119.7024 59.6722 29.3715 178.0975 21 Y 3.9502 8.0509 118.1795 60.9105 39.2413 177.9784 22 I 3.8217 8.2210 120.9193 64.5674 37.0003 178.6296 23 S 4.1086 8.2033 115.4479 61.3198 62.7077 176.2529 24 S 4.2357 7.4260 114.3514 58.7860 63.3197 174.4597 25 Q 4.1405 7.4606 123.5913 54.7147 29.2485 175.3978 26 P 4.3095 0.0000 0.0000 64.9828 31.9394 176.7421 27 D 4.7552 7.9700 116.7976 53.0544 39.6964 174.9460 28 M 5.3189 7.4159 116.9289 54.2276 36.5136 174.2018 29 E 4.6137 8.7498 120.0610 54.9684 33.8034 173.8968 30 V 4.6337 8.4206 126.9651 62.0753 32.1071 175.2967 31 I 4.3123 8.3998 121.4277 60.4209 38.6209 175.7400 32 G 4.1897 7.2711 108.1799 46.1550 0.0000 172.6077 33 T 5.2603 8.4954 111.0214 59.7780 72.2468 172.7986 34 A 4.3698 8.6354 123.4341 50.7478 22.8379 176.3081 35 Y 5.1811 8.5323 115.3444 56.7924 39.1743 174.8571 36 N 4.8360 7.5769 117.6338 50.9109 41.2722 175.4186 37 G 4.0622 8.3057 108.7381 47.4116 0.0000 175.9152 38 Q 4.0256 8.2295 121.8615 59.1765 29.0354 178.0498 39 D 4.4209 8.7889 120.1512 57.1454 40.7734 178.3260 40 C 4.0354 7.9776 119.4865 62.4912 31.3793 175.6212 41 L 4.0570 7.8078 119.2271 57.7886 41.5167 178.8998 42 Q 4.1647 8.1529 119.5537 59.5209 29.0044 178.1004 43 M 4.0453 8.3198 119.3472 58.6964 32.0581 178.0302 44 L 4.2572 7.8178 117.5764 56.9208 41.8009 178.5417 45 E 4.3581 8.1446 119.2615 58.8937 29.6572 177.8354 46 E 4.2961 8.1365 117.1592 56.7589 30.3058 176.4439 47 K 4.7364 7.9645 116.3742 54.6875 35.0936 176.4644 48 R 4.5752 7.9702 119.1851 53.4352 30.3253 173.6957 49 P 4.5138 0.0000 0.0000 62.5159 32.6388 177.2188 50 D 4.7580 8.9181 119.9666 56.5641 42.2245 176.6262 51 I 5.0864 7.6675 117.9690 59.2301 41.6482 174.1247 52 L 5.0261 8.9280 128.1282 53.2386 44.8911 174.8174 53 L 4.8792 8.8807 126.9265 53.6272 43.5082 175.5480 54 L 4.9021 8.4262 125.8599 53.6594 45.9258 176.4242 *56 I 3.9641 8.3668 117.9685 61.4598 38.6686 176.3835 57 I 4.1685 7.4924 125.7017 61.6557 35.9871 175.2176 58 M 4.9851 7.9142 123.6721 52.7432 35.9745 173.4671 59 P 4.3007 0.0000 0.0000 63.1715 32.6900 175.2198 60 H 4.0132 9.3952 110.7056 56.4405 25.6826 169.7903 61 L 3.7159 7.9103 123.7024 54.7300 39.7533 174.4733 62 D 5.0899 8.3090 124.0002 52.2061 42.0557 177.1226 63 G 3.6301 8.9559 106.3134 48.0196 0.0000 175.9520 64 L 4.0099 7.9939 120.4726 57.4416 41.6606 179.2231 65 A 4.0176 8.5599 121.0715 54.8850 18.2253 179.7842 66 V 3.5212 7.9071 116.8069 66.1535 31.7449 177.9925 67 L 3.9323 8.0864 118.9270 58.0356 41.5316 179.2810 68 E 3.9694 8.1838 118.8958 59.4681 29.6039 179.1131 69 R 4.0739 8.3230 118.2020 59.1381 29.8413 179.1777 70 I 3.8199 7.8466 119.3144 64.3238 37.1649 178.1474 71 R 4.3205 8.0066 119.2326 58.9104 30.0826 178.0638 72 A 4.4105 8.1339 119.0047 53.4609 18.6466 178.1140 73 G 3.9896 8.2018 103.7258 44.9600 0.0000 172.6807 74 F 4.8773 8.0010 117.1090 55.4046 42.7667 174.5573 75 E 4.2565 8.9778 121.1206 58.3487 30.4304 176.2554 76 H 4.6638 8.1749 119.0470 54.7302 30.5768 173.9257 77 Q 4.3423 8.0948 125.1169 53.0684 31.6411 173.2161 78 P 4.4284 0.0000 0.0000 62.5293 32.6987 175.5700 79 N 4.6244 8.9904 118.7325 53.1174 39.8878 174.3570 80 V 4.7196 8.3991 122.8381 61.1820 34.4236 174.0467 81 I 4.8538 8.5491 128.7378 59.6138 39.6151 175.0189 82 M 4.3150 8.6744 127.8502 55.2477 33.1190 175.8223 83 L 4.8582 8.5322 124.9279 53.9220 44.0070 174.8941 84 T 4.7490 8.4775 119.0949 60.6416 70.9472 174.0420 85 A 4.2967 8.8318 127.5421 53.6536 19.4088 178.4056 86 F 4.3190 8.3266 120.5957 56.8672 37.8852 175.7538 87 G 4.0335 7.6140 116.3048 45.0144 0.0000 172.3709 88 Q 3.9358 7.5592 119.4897 55.2354 30.9277 174.7446 89 E 3.8307 8.7212 125.9823 60.0332 29.5823 179.4758 90 D 4.3819 8.7723 117.8645 56.9385 41.1580 178.4681 91 V 3.7092 7.9433 118.9870 65.9089 31.7360 177.8298 92 T 3.4101 7.7613 109.6756 64.6385 68.4060 176.2886 93 K 3.8614 7.6106 121.9629 58.8293 32.1848 178.6339 94 K 3.9177 8.2806 119.7365 59.3978 32.0788 178.4454 95 A 4.0771 8.3500 121.5248 55.3585 18.4700 180.0589 96 V 3.5970 7.8109 117.4848 64.9174 31.2842 178.1763 97 E 3.9754 8.1965 119.1914 58.7592 29.5797 177.9915 98 L 4.3754 7.8666 116.4168 54.6379 42.0536 177.3862 99 G 4.0675 7.7495 106.4848 44.8790 0.0000 174.2079 100 A 4.1294 7.9638 123.2775 52.4625 18.8866 178.3201 101 S 4.4846 8.8707 119.0673 61.5000 63.8757 173.4928 102 Y 4.8294 7.7354 118.5804 56.8349 42.7306 173.4788 103 F 4.9004 7.2273 123.6237 57.1077 42.1336 173.0602 104 I 4.6435 8.8509 127.9636 59.4897 39.6832 175.3003 105 L 4.9548 8.6279 126.3012 54.2297 42.8457 176.4980 106 K 4.7939 8.5252 122.0183 55.0468 33.1366 175.3880 107 P 4.5968 0.0000 0.0000 62.4176 32.2829 175.0437 108 F 5.0058 7.8190 113.6026 54.5954 41.4058 173.5620 109 D 4.7512 8.4799 119.3074 52.7130 43.2589 176.5234 110 M 4.0253 8.3875 126.4114 58.6631 31.9171 178.7532 111 E 4.0424 8.8967 118.9699 59.3345 29.6259 178.8596 112 N 4.3569 8.4474 116.7360 56.4940 38.9408 176.5973 113 L 3.9821 8.2363 121.5498 58.2949 42.2024 178.8846 114 A 4.0621 8.3918 120.8303 55.2507 18.2959 178.9459 115 H 4.0431 8.3974 116.8190 59.9978 29.8670 177.2937 116 H 3.9332 8.3060 117.8377 58.5421 28.4718 177.7056 117 I 3.7095 8.0607 122.0623 64.6712 37.0213 178.6205 118 R 3.9885 8.0852 118.6100 59.3909 29.6517 179.2757 119 Q 3.9428 7.8396 116.8129 58.9124 28.7845 178.5549 120 V 3.7135 7.8872 118.6643 65.9033 31.6003 177.2806 121 Y 4.2791 8.1346 118.5907 60.0251 39.0985 178.6802 122 G 4.3769 7.8274 104.9640 42.8126 0.0000 174.9212 123 K 4.1572 7.5370 119.5463 55.5777 33.3526 174.9199 *125 T 4.1380 8.0263 113.6826 60.3360 69.8654 173.9967 126 P 4.2875 0.0000 0.0000 64.8611 31.6568 176.3389 127 V 4.0063 7.0992 116.1510 62.7360 32.0253 175.9018 128 V 3.7374 8.4772 119.7083 61.6535 30.7696 171.1102 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 S 8.33 4.53 0.00 3.81 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 3 I 8.46 3.42 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.48 0.58 0.00 0.00 4 K 9.88 4.73 0.00 1.74 1.70 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.32 7.81 5 V 8.90 4.87 2.05 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 1.10 0.00 0.00 0.94 0.00 0.00 6 C 8.97 5.34 0.00 2.82 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 7 I 8.43 4.93 1.82 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 1.15 0.81 0.89 0.00 0.00 8 A 8.78 4.99 1.12 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 0.00 0.00 9 D 8.70 4.72 0.00 2.73 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 10 D 8.91 4.89 0.00 2.87 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 11 N 8.63 4.63 0.00 2.82 2.97 0.00 0.00 7.13 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 12 R 8.31 4.05 0.00 1.76 1.74 0.00 2.75 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.43 0.00 13 E 8.21 3.95 0.00 2.08 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 2.38 2.44 0.00 14 L 8.42 4.00 0.00 1.88 1.90 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.01 3.65 2.48 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 0.95 0.00 0.00 1.13 0.00 0.00 16 S 8.26 4.23 0.00 4.01 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 17 L 8.19 4.05 0.00 1.95 1.75 0.91 0.52 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 18 L 8.37 4.13 0.00 1.92 1.79 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.60 4.32 0.00 2.83 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 20 E 8.35 3.92 0.00 2.30 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 2.37 2.42 0.00 21 Y 8.05 3.95 0.00 3.06 3.09 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 0.00 0.00 0.00 22 I 8.22 3.82 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 1.63 0.62 0.90 0.00 0.00 23 S 8.20 4.11 0.00 4.10 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 24 S 7.43 4.24 0.00 3.92 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 25 Q 7.46 4.14 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 26 P 0.00 4.31 0.00 2.14 2.14 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 27 D 7.97 4.76 0.00 2.76 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 28 M 7.42 5.32 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 29 E 8.75 4.61 0.00 1.96 1.67 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 2.17 2.22 0.00 30 V 8.42 4.63 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 0.90 0.00 0.00 0.93 0.00 0.00 31 I 8.40 4.31 1.85 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 1.27 0.77 0.88 0.00 0.00 32 G 7.27 4.19 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 0.00 33 T 8.50 5.26 3.96 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 1.16 0.00 0.00 34 A 8.64 4.37 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 35 Y 8.53 5.18 0.00 3.06 2.90 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 36 N 7.58 4.84 0.00 3.27 2.96 0.00 0.00 6.08 6.95 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 37 G 8.31 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.03 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 39 D 8.79 4.42 0.00 2.73 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 40 C 7.98 4.04 0.00 3.08 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 41 L 7.81 4.06 0.00 1.90 1.98 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.15 4.16 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 43 M 8.32 4.05 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 44 L 7.82 4.26 0.00 1.48 1.31 0.57 0.67 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 45 E 8.14 4.36 0.00 2.34 2.05 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 2.34 2.44 0.00 46 E 8.14 4.30 0.00 2.12 1.99 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 2.30 2.59 0.00 47 K 7.96 4.74 0.00 1.80 1.67 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.36 7.81 48 R 7.97 4.58 0.00 1.64 1.48 0.00 3.14 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 49 P 0.00 4.51 0.00 2.34 2.03 0.00 3.81 0.00 0.00 3.63 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 50 D 8.92 4.76 0.00 2.77 3.16 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 51 I 7.67 5.09 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 0.91 0.00 0.00 52 L 8.93 5.03 0.00 1.65 1.42 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.88 4.88 0.00 1.54 1.47 0.88 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.43 4.90 0.00 1.63 1.40 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 *56 I 8.37 3.96 1.87 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 1.36 0.41 0.87 0.00 0.00 57 I 7.49 4.17 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.32 0.84 0.00 0.00 58 M 7.91 4.99 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 59 P 0.00 4.30 0.00 1.87 2.05 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 60 H 9.40 4.01 0.00 3.32 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.91 3.72 0.00 1.94 1.89 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.31 5.09 0.00 3.14 2.78 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 63 G 8.96 3.63 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 0.00 64 L 7.99 4.01 0.00 1.71 1.74 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.56 4.02 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 66 V 7.91 3.52 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 1.05 0.00 0.00 1.00 0.00 0.00 67 L 8.09 3.93 0.00 1.90 1.72 0.94 1.08 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 68 E 8.18 3.97 0.00 2.07 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 2.33 2.37 0.00 69 R 8.32 4.07 0.00 2.07 2.13 0.00 3.39 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 70 I 7.85 3.82 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.79 0.00 0.00 71 R 8.01 4.32 0.00 1.86 2.13 0.00 3.11 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 72 A 8.13 4.41 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 73 G 8.20 3.99 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 0.00 0.00 0.00 74 F 8.00 4.88 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 75 E 8.98 4.26 0.00 2.11 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 0.00 2.30 2.34 0.00 76 H 8.17 4.66 0.00 3.19 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.09 4.34 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 78 P 0.00 4.43 0.00 2.03 2.21 0.00 3.57 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 1.86 1.89 0.00 79 N 8.99 4.62 0.00 2.74 2.80 0.00 0.00 6.85 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 80 V 8.40 4.72 2.06 0.00 0.00 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 0.91 0.00 0.00 81 I 8.55 4.85 1.85 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 1.33 0.61 0.94 0.00 0.00 82 M 8.67 4.32 0.00 1.18 0.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 83 L 8.53 4.86 0.00 1.30 1.34 0.33 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.48 4.75 4.10 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 0.88 0.00 0.00 85 A 8.83 4.30 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 86 F 8.33 4.32 0.00 3.01 3.13 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 0.00 0.00 0.00 87 G 7.61 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 88 Q 7.56 3.94 0.00 1.47 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 89 E 8.72 3.83 0.00 1.97 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 2.34 2.29 0.00 90 D 8.77 4.38 0.00 2.81 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 91 V 7.94 3.71 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 1.41 0.00 0.00 1.26 0.00 0.00 92 T 7.76 3.41 3.75 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 0.50 0.00 0.00 93 K 7.61 3.86 0.00 1.83 1.95 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.43 7.81 94 K 8.28 3.92 0.00 2.05 1.96 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.53 7.81 95 A 8.35 4.08 1.61 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 0.00 0.00 96 V 7.81 3.60 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 0.76 0.00 0.00 0.94 0.00 0.00 97 E 8.20 3.98 0.00 2.00 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 0.00 2.34 2.36 0.00 98 L 7.87 4.38 0.00 1.73 1.71 0.94 0.87 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 99 G 7.75 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.96 4.13 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 0.00 101 S 8.87 4.48 0.00 3.94 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 0.00 102 Y 7.74 4.83 0.00 3.02 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.23 4.90 0.00 2.86 2.46 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 0.00 104 I 8.85 4.64 1.77 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 1.41 1.18 0.93 0.00 0.00 105 L 8.63 4.95 0.00 1.62 1.68 0.94 1.11 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 0.00 106 K 8.53 4.79 0.00 1.76 1.87 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.74 1.42 7.81 107 P 0.00 4.60 0.00 2.13 2.03 0.00 3.74 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 2.00 1.95 0.00 108 F 7.82 5.01 0.00 3.14 3.24 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 0.00 109 D 8.48 4.75 0.00 2.77 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 0.00 110 M 8.39 4.03 0.00 0.51 1.38 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 111 E 8.90 4.04 0.00 2.10 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 0.00 2.43 2.36 0.00 112 N 8.45 4.36 0.00 3.00 3.09 0.00 0.00 6.85 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 0.00 113 L 8.24 3.98 0.00 1.78 1.89 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.39 4.06 1.54 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 0.00 115 H 8.40 4.04 0.00 3.25 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.31 3.93 0.00 3.21 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.06 3.71 2.03 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 1.53 1.02 0.90 0.00 0.00 118 R 8.09 3.99 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 119 Q 7.84 3.94 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.11 0.00 120 V 7.89 3.71 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 0.83 0.00 0.00 0.94 0.00 0.00 121 Y 8.13 4.28 0.00 3.02 3.15 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 0.00 122 G 7.83 4.38 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 0.00 123 K 7.54 4.16 0.00 1.93 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.36 7.81 *125 T 8.03 4.14 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 1.19 0.00 0.00 126 P 0.00 4.29 0.00 2.20 2.23 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 127 V 7.10 4.01 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 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.48 3.74 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 0.66 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.