NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 K 4.3464 8.1733 120.1356 56.4859 34.6562 177.9245 21 K 3.8114 7.8636 117.9275 58.8440 31.7010 177.9781 22 K 4.0136 8.7548 119.1120 59.4449 32.5176 178.7374 23 Q 4.1369 7.9377 116.9870 59.1244 29.1297 177.9122 24 T 3.9969 8.1177 111.1058 65.0354 67.9794 175.7977 25 E 3.8116 7.7581 118.7843 57.0931 29.9282 178.2891 *27 I 3.4606 7.6877 117.8593 60.8845 39.3071 177.4035 28 A 3.8022 8.2748 122.0350 55.6126 17.5688 178.9555 29 D 4.3585 7.7214 114.9540 58.1400 41.0695 178.6409 30 H 4.4671 8.1127 118.2943 59.3362 29.8914 177.0386 31 I 3.5815 7.6563 121.6620 64.5983 36.7202 177.8848 32 Y 4.2724 7.8958 116.6624 60.3991 37.8177 178.1612 33 G 3.9080 7.3298 106.0953 45.9671 0.0000 175.5468 34 K 4.0889 8.0163 121.0854 57.6966 33.0224 176.1312 35 Y 4.4492 7.8181 117.2174 56.9235 39.2128 176.5020 36 D 4.4124 8.9060 124.9667 57.6392 41.0679 179.1236 37 V 3.6503 7.9649 112.3652 64.4094 31.2980 178.4622 38 F 3.6877 8.0580 116.8147 59.6430 38.7679 177.4721 39 K 4.1434 7.7504 118.3422 59.7155 31.9490 177.5432 40 R 4.5094 8.5282 114.3777 55.2344 30.5506 176.5038 41 F 3.7265 7.5116 115.6905 58.5044 36.7502 175.3854 42 K 4.5217 7.8772 118.3787 54.4034 34.1399 177.0892 43 P 4.2284 0.0000 0.0000 63.6380 32.2396 175.2280 44 L 5.0052 8.8916 124.2993 53.2206 42.9414 176.6873 45 A 4.1390 8.7053 125.2100 51.9044 19.1118 177.6145 46 L 3.7617 8.5648 120.2455 56.8924 42.0167 177.7421 47 G 3.8456 8.9409 110.4953 46.9600 0.0000 174.8440 48 I 3.9859 7.7266 119.8565 62.1814 38.0263 176.9355 49 D 4.2562 7.9303 119.9190 57.3299 39.4919 178.2095 50 Q 4.0208 8.9540 121.4454 58.5541 28.6867 178.8732 51 D 4.3872 7.8189 118.5179 57.0434 40.7363 178.5903 52 L 3.8288 7.9274 121.0489 58.0860 41.8616 179.1571 53 I 3.7418 7.6410 118.5703 64.2221 37.1445 177.9111 54 A 4.1331 7.9467 120.3655 55.1068 18.3798 179.0931 55 A 4.4366 8.0316 116.7069 52.8019 19.7681 177.9153 56 L 4.7638 7.3048 116.4373 52.2483 42.1058 174.5604 57 P 4.4260 0.0000 0.0000 64.5416 31.9332 178.3816 58 Q 3.9456 7.8110 115.6959 57.3331 28.6014 174.5763 59 Y 4.9020 7.0656 113.3181 55.8708 42.1505 173.9304 60 D 4.6169 8.5054 119.1300 53.8728 42.0478 176.1118 61 A 4.3280 8.5642 126.9107 52.5116 18.4109 177.6554 62 A 4.6819 8.8822 119.3824 51.5528 20.7811 177.9422 63 L 4.5471 7.8464 114.2745 54.9292 42.9968 178.4490 64 I 3.7710 7.8289 120.4502 64.0505 37.1016 178.0328 65 A 4.0707 7.8497 121.2800 54.8362 18.2910 179.4799 66 R 3.7837 7.7036 117.4562 59.6962 30.2830 178.8894 67 V 3.5882 7.3169 116.5881 65.9008 31.3831 177.7873 68 L 3.9220 7.4612 118.6072 57.7846 41.7053 178.6362 69 A 3.9881 7.6771 119.8484 55.2258 18.6487 178.9394 70 N 4.4236 8.1511 114.8481 56.8581 38.5735 176.8065 71 H 4.2146 8.1192 119.1792 59.8438 29.7488 176.7969 72 C 3.6959 7.9600 116.0017 61.2309 28.0093 175.0479 73 R 4.4684 7.5720 115.9355 55.7644 30.4820 177.0299 74 R 3.9347 7.3946 120.3252 55.7111 30.8222 175.6420 75 P 4.1376 0.0000 0.0000 66.0166 31.1631 178.8706 76 R 3.6916 7.7059 116.8006 59.2645 29.8292 177.8848 77 Y 4.2807 8.2198 119.5124 60.6660 38.8358 177.2495 78 L 3.9608 8.1972 119.4950 58.1142 41.7092 179.6801 79 K 3.9398 8.3655 118.0586 59.3476 31.9827 179.2933 80 A 3.9755 7.9003 121.1003 55.0713 18.0252 179.7029 81 L 3.7747 7.7949 116.8494 57.8470 41.7481 179.3667 82 A 4.2523 7.8788 119.8216 54.9075 18.3042 179.3817 83 R 3.9477 7.6860 117.1396 59.4664 30.6369 177.5852 84 G 3.6440 7.9161 105.0859 45.1279 0.0000 172.3294 85 G 3.6922 8.3814 106.4263 44.4219 0.0000 172.9310 86 K 4.2477 8.0646 118.1927 56.7240 32.9540 176.8091 87 R 4.8624 8.3636 121.1974 54.9638 33.2409 175.3187 88 F 5.4502 8.8946 118.2960 55.9698 43.3497 175.2879 89 D 4.9653 8.8892 122.6201 51.7678 41.0284 177.2489 90 L 4.2262 8.5182 118.4215 57.8818 41.5639 178.0287 91 N 4.7743 8.3986 114.1109 52.4929 38.4858 174.1250 92 N 4.3919 8.3832 115.5081 55.0536 38.1699 174.0382 93 R 4.6986 8.7817 114.4681 53.4762 32.9032 176.0282 94 F 4.3812 8.2691 119.3429 58.4498 39.1753 176.0521 95 K 4.2928 8.7415 126.9478 55.7516 33.3072 176.7888 96 G 3.7477 9.6851 115.4319 45.5393 0.0000 169.1237 97 E 4.9134 7.8839 115.9820 55.5877 32.2459 175.1939 98 V 4.2034 8.5426 121.5243 62.6296 32.1269 176.0376 99 T 4.2065 8.9091 118.3022 60.8182 70.1573 173.9766 100 P 4.1925 0.0000 0.0000 65.8659 31.4125 178.3308 101 E 3.9189 8.2328 117.6297 59.4799 29.5049 178.6419 102 E 4.0097 8.1115 117.1484 59.3130 29.6656 178.8244 103 Q 4.0490 8.2990 120.3886 58.9692 29.1872 178.1627 104 A 4.0071 8.2500 121.9827 55.2542 18.1974 179.7150 105 I 3.6927 7.5789 117.0876 64.3864 37.3159 178.2078 106 A 4.1760 8.1184 121.7337 55.3221 17.9769 179.7646 107 Q 3.9797 7.9305 115.6978 58.6745 28.8902 177.7513 108 N 4.6293 7.8657 114.7822 52.9364 39.5275 175.1239 109 H 4.2285 7.3935 121.9119 55.2780 30.6571 174.0816 110 P 4.1536 0.0000 0.0000 65.8482 31.2189 177.9055 111 F 4.7149 8.2230 115.0470 59.4363 39.2817 176.0962 112 V 4.1425 8.0306 119.5471 63.7809 32.7130 175.1954 113 Q 4.1799 8.0005 123.7917 56.1435 28.9253 174.8510 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 20 K 8.17 4.35 0.00 1.84 1.92 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 21 K 7.86 3.81 0.00 1.92 1.86 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.65 7.81 22 K 8.75 4.01 0.00 1.73 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 23 Q 7.94 4.14 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 24 T 8.12 4.00 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 1.26 0.00 0.00 25 E 7.76 3.81 0.00 2.38 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 2.37 0.00 *27 I 7.69 3.46 1.81 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 1.06 -0.36 0.54 0.00 0.00 28 A 8.27 3.80 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 29 D 7.72 4.36 0.00 3.01 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 30 H 8.11 4.47 0.00 3.29 3.41 0.00 5.66 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 31 I 7.66 3.58 1.47 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.29 -0.32 0.00 0.00 32 Y 7.90 4.27 0.00 2.91 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 33 G 7.33 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 0.00 0.00 0.00 34 K 8.02 4.09 0.00 1.69 1.67 0.00 1.75 0.00 0.00 1.44 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.81 1.27 7.81 35 Y 7.82 4.45 0.00 3.20 3.01 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 36 D 8.91 4.41 0.00 2.73 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 37 V 7.96 3.65 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.86 0.00 0.00 38 F 8.06 3.69 0.00 2.78 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 0.00 0.00 0.00 0.00 39 K 7.75 4.14 0.00 2.05 2.10 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.66 7.81 40 R 8.53 4.51 0.00 1.91 1.96 0.00 3.45 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 41 F 7.51 3.73 0.00 3.15 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 42 K 7.88 4.52 0.00 1.46 1.51 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.17 1.22 7.81 43 P 0.00 4.23 0.00 2.30 1.97 0.00 3.74 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 2.16 2.19 0.00 44 L 8.89 5.01 0.00 1.54 1.48 0.28 0.04 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 45 A 8.71 4.14 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 46 L 8.56 3.76 0.00 1.65 1.66 0.93 0.94 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 47 G 8.94 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 48 I 7.73 3.99 2.03 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 1.65 1.24 0.91 0.00 0.00 49 D 7.93 4.26 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.95 4.02 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 51 D 7.82 4.39 0.00 2.86 2.73 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 0.00 0.00 0.00 0.00 52 L 7.93 3.83 0.00 1.94 1.55 0.41 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.64 3.74 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 0.83 0.92 0.00 0.00 54 A 7.95 4.13 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 55 A 8.03 4.44 1.52 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 0.00 0.00 56 L 7.30 4.76 0.00 1.84 1.99 1.02 1.81 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 57 P 0.00 4.43 0.00 2.14 2.07 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 58 Q 7.81 3.95 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 59 Y 7.07 4.90 0.00 2.96 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 60 D 8.51 4.62 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.88 4.68 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 63 L 7.85 4.55 0.00 1.68 1.67 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.83 3.77 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.81 0.00 0.00 65 A 7.85 4.07 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 66 R 7.70 3.78 0.00 1.97 1.91 0.00 3.10 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 1.62 1.63 0.00 67 V 7.32 3.59 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 0.79 0.00 0.00 0.86 0.00 0.00 68 L 7.46 3.92 0.00 1.78 1.83 0.97 0.96 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 69 A 7.68 3.99 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 70 N 8.15 4.42 0.00 2.99 2.94 0.00 0.00 6.69 7.71 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 71 H 8.12 4.21 0.00 3.34 3.46 0.00 5.78 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 72 C 7.96 3.70 0.00 2.91 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 73 R 7.57 4.47 0.00 2.07 2.12 0.00 3.13 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 74 R 7.39 3.93 0.00 2.16 1.91 0.00 3.39 0.00 0.00 3.61 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 75 P 0.00 4.14 0.00 1.89 1.89 0.00 3.26 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 76 R 7.71 3.69 0.00 1.40 1.08 0.00 2.66 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 0.91 1.34 0.00 77 Y 8.22 4.28 0.00 3.37 3.14 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 0.00 78 L 8.20 3.96 0.00 1.93 1.74 0.83 1.09 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 79 K 8.37 3.94 0.00 1.92 1.82 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.57 7.81 80 A 7.90 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.79 3.77 0.00 1.68 1.65 0.55 0.68 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 82 A 7.88 4.25 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 83 R 7.69 3.95 0.00 1.82 2.14 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 84 G 7.92 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 85 G 8.38 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 0.00 0.00 0.00 86 K 8.06 4.25 0.00 0.81 0.87 0.00 1.01 0.00 0.00 1.46 0.00 0.00 2.42 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.77 0.21 7.81 87 R 8.36 4.86 0.00 1.89 1.93 0.00 3.06 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 88 F 8.89 5.45 0.00 2.91 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 89 D 8.89 4.97 0.00 2.89 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 90 L 8.52 4.23 0.00 1.83 2.23 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.40 4.77 0.00 2.76 2.86 0.00 0.00 6.88 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.38 4.39 0.00 2.85 2.92 0.00 0.00 6.90 7.21 0.00 0.00 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 R 8.78 4.70 0.00 1.96 1.75 0.00 3.19 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 94 F 8.27 4.38 0.00 2.86 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 95 K 8.74 4.29 0.00 1.63 1.67 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 96 G 9.69 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 0.00 0.00 0.00 0.00 97 E 7.88 4.91 0.00 1.95 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 2.05 2.17 0.00 98 V 8.54 4.20 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 0.86 0.00 0.00 0.94 0.00 0.00 99 T 8.91 4.21 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 0.00 100 P 0.00 4.19 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 101 E 8.23 3.92 0.00 2.03 1.95 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 2.39 2.39 0.00 102 E 8.11 4.01 0.00 2.27 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 0.00 2.29 2.58 0.00 103 Q 8.30 4.05 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 104 A 8.25 4.01 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 0.00 105 I 7.58 3.69 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 1.47 0.69 0.95 0.00 0.00 106 A 8.12 4.18 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 3.98 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 108 N 7.87 4.63 0.00 2.73 2.85 0.00 0.00 6.97 8.11 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 0.00 109 H 7.39 4.23 0.00 3.37 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.15 0.00 1.62 1.91 0.00 2.92 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 111 F 8.22 4.71 0.00 3.14 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 0.00 112 V 8.03 4.14 2.27 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 0.82 0.00 0.00 1.01 0.00 0.00 113 Q 8.00 4.18 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.