NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.4332 0.0000 0.0000 61.1273 33.9626 175.5161 11 V 4.4873 6.5002 121.8260 61.0142 35.0826 173.0413 12 K 4.8657 8.7564 128.3044 55.3005 34.5434 174.4725 13 H 5.4033 9.4976 125.6659 53.9058 31.8816 173.0537 14 V 4.8740 9.0742 127.2072 61.0119 33.8837 173.8883 15 L 5.3327 9.2569 130.3035 53.3554 44.8106 174.8374 16 L 5.4308 9.1031 126.1194 53.2359 44.4499 175.3843 17 A 5.4110 9.3600 123.0232 50.5691 23.4812 174.7858 18 S 4.8449 8.7012 113.7051 56.3469 65.4126 173.3275 19 F 4.8210 8.8848 126.2605 56.9236 39.8272 175.6730 20 K 4.7966 9.0738 122.7017 55.7955 34.1156 176.1269 21 D 4.4638 8.6470 120.4596 56.6859 41.0156 177.7655 22 G 3.8820 8.9991 111.5408 45.0970 0.0000 173.1725 23 V 3.8101 7.3471 120.3503 61.8957 32.0320 176.6423 24 S 4.4127 8.3286 122.3822 57.4166 65.2910 173.2832 25 P 4.1452 0.0000 0.0000 65.6488 31.0026 178.9355 26 E 3.9335 8.0225 117.1781 59.2438 29.3927 179.0938 27 K 3.9220 8.2060 120.0157 59.2208 32.1347 178.9227 28 I 3.0748 7.5652 120.2225 64.3719 36.9939 178.3159 29 E 3.8207 8.0138 119.2409 59.0872 29.2154 178.9955 30 E 3.9428 8.1202 119.5579 59.2997 29.6207 178.9864 31 L 4.2578 8.1942 119.3467 57.9881 41.7417 179.5141 32 I 3.9477 8.1024 119.9430 64.4579 36.9869 178.6954 33 K 4.1072 8.2930 119.5258 59.2417 31.6091 179.6976 34 G 3.3484 7.8945 105.3035 47.6583 0.0000 174.8866 35 Y 3.9874 8.1849 121.9266 60.4209 38.9704 177.9116 36 A 2.5800 7.2282 121.4588 54.6792 18.3423 178.8609 37 N 4.2581 7.7292 114.7710 55.9089 38.8671 176.7278 38 L 4.0392 7.6732 120.1497 57.0871 41.3898 179.0576 39 V 3.4529 7.1041 117.8181 66.1767 31.4491 177.4781 40 N 4.4489 7.6257 114.4725 56.4113 38.5288 177.3226 41 L 4.3228 7.8058 118.4717 55.4641 41.8715 176.9611 42 I 4.3567 7.4171 119.5289 59.0638 39.0747 174.5999 43 E 4.0440 9.2939 127.2746 58.8788 29.8985 176.4508 44 P 4.6083 0.0000 0.0000 62.9122 29.1440 175.7964 *46 K 4.3414 7.6969 117.8359 57.0059 34.9455 177.2312 47 A 4.5567 7.2712 118.8270 51.1562 22.8119 175.0481 48 F 5.1221 8.2080 120.6950 57.4560 42.3774 173.1703 49 H 5.2053 8.7201 122.2157 54.1243 33.5171 172.0023 50 W 5.4779 8.2066 116.0993 55.7757 31.5035 173.8061 51 G 3.7393 8.7870 105.2317 44.9822 0.0000 172.3560 52 K 4.7924 8.3074 123.6526 54.9403 33.5364 175.8649 53 D 4.4121 9.1103 127.7512 54.2059 41.7039 176.3847 54 V 4.4633 8.1134 119.0248 60.8862 32.8331 175.9644 55 S 4.3835 8.5090 114.5891 58.7241 63.2245 173.9305 56 I 4.4982 8.0516 119.0664 61.1068 38.4550 176.3916 57 E 4.1417 8.2242 119.1310 56.2893 29.9683 175.5206 58 N 4.1808 8.1510 115.8075 55.2433 36.9743 173.9356 59 L 4.7297 7.6888 113.1441 54.4599 43.2547 178.1211 60 H 4.2869 7.9624 115.1029 56.2700 28.8134 175.7598 61 Q 3.3536 8.4093 118.2424 57.0013 26.5797 174.8642 62 G 3.9508 8.7136 105.8961 45.5075 0.0000 174.2108 63 Y 4.4068 7.8080 117.9652 58.0346 38.6937 175.3214 64 T 4.6751 9.1585 112.9690 61.9479 71.7612 173.4674 65 H 5.5011 8.4229 117.9583 53.8501 33.5570 172.1189 66 I 4.8856 8.5191 120.6523 59.2197 41.4285 174.0979 67 F 5.1465 9.3199 127.0713 55.5820 42.5461 173.3707 68 E 5.2083 8.9534 125.2830 54.2393 32.2830 174.6056 69 S 5.1653 9.2575 121.6451 56.8557 66.2698 172.8898 70 T 5.0138 8.2088 118.8281 62.1135 70.2678 173.8565 71 F 4.9120 9.2970 123.4855 55.9754 43.3418 175.5224 72 E 4.3198 9.0591 118.7863 58.0536 30.1506 177.0072 73 S 4.6022 7.5650 112.1285 55.8837 66.8949 175.1880 74 K 3.8206 8.5552 122.9504 59.9282 31.7908 178.5737 75 E 3.9763 8.2061 117.9718 59.3177 29.3142 179.0628 76 A 4.0478 8.3317 121.3685 54.9873 18.3414 179.8790 77 V 2.5644 7.4534 116.3818 65.7359 31.6058 178.1553 78 A 3.9245 7.8181 120.3552 55.1498 17.9803 179.4363 79 E 3.9262 8.1870 116.2792 59.6159 29.8935 178.4361 80 Y 4.4261 8.2521 119.6806 61.1393 38.6251 178.5475 81 I 3.0511 7.6430 119.0154 63.7905 37.2590 177.6116 82 A 4.2514 7.6508 119.1567 52.2838 19.2118 177.0283 83 H 4.3104 7.6138 119.2610 54.8475 30.7023 174.5310 84 P 4.3136 0.0000 0.0000 65.8008 31.0387 178.6655 85 A 4.0152 8.2611 120.4099 55.1342 18.3097 178.6266 86 H 4.0546 8.2723 116.3365 59.6485 29.6567 177.3254 87 V 3.3735 7.4955 118.3077 65.8149 31.6970 177.3670 88 E 4.0246 8.3542 119.0136 59.4520 29.6291 178.7103 89 F 4.2836 8.4354 120.3856 61.0383 39.3305 176.9411 90 A 3.7391 8.2398 121.0704 55.0563 18.1659 179.6229 91 T 3.7142 7.3557 113.0929 66.7629 68.2786 176.7090 92 I 3.5386 7.3310 119.8053 64.2913 37.5244 177.8437 93 F 3.7837 7.4651 121.1352 61.2492 39.2417 177.2721 94 L 4.1568 8.2785 118.7402 57.2791 41.1060 179.6472 95 G 3.6183 7.5938 104.7439 47.0132 0.0000 174.9336 96 S 4.5376 7.8014 115.4917 57.4511 63.2605 173.2908 97 L 4.8556 6.7801 122.0800 53.3112 43.3865 176.3257 98 D 4.4970 8.9800 124.1771 56.9249 41.6028 176.1391 99 K 5.0054 7.8577 117.4612 54.4547 35.4256 175.1757 100 V 5.3010 8.3822 121.9729 60.1896 34.8399 174.3307 101 L 4.8049 9.2396 124.3872 53.5103 45.5467 174.8271 102 V 5.0263 8.5897 125.4324 61.2293 34.1651 174.5504 103 I 4.7900 8.8087 127.3811 59.6774 41.0638 173.7863 104 D 5.7610 8.8183 125.5912 52.8730 43.5372 174.8184 105 Y 4.8569 8.9173 119.8367 55.6341 42.2145 174.0573 106 K 4.7699 8.4876 119.9534 53.3530 33.3297 174.7495 107 P 4.5856 0.0000 0.0000 63.2943 31.7169 176.3092 108 T 4.7082 8.7142 120.5461 61.7378 71.6551 173.1411 109 S 4.6256 8.1928 118.0606 56.4783 66.2954 174.4055 110 V 3.9326 8.1445 120.9372 61.9649 29.8528 174.8385 111 S 4.7528 8.0696 119.4088 56.3286 66.3032 174.4953 112 L 4.3214 8.3727 119.7437 55.0062 41.8517 176.6404 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 10 P 0.00 4.43 0.00 2.09 1.91 0.00 3.48 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 11 V 6.50 4.49 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 0.99 0.00 0.00 0.90 0.00 0.00 12 K 8.76 4.87 0.00 0.84 1.55 0.00 1.43 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.11 7.81 13 H 9.50 5.40 0.00 3.29 3.62 0.00 5.78 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 9.07 4.87 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 0.91 0.00 0.00 1.13 0.00 0.00 15 L 9.26 5.33 0.00 1.88 1.85 1.02 0.66 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 16 L 9.10 5.43 0.00 1.21 1.35 0.57 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 A 9.36 5.41 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 18 S 8.70 4.84 0.00 3.77 3.62 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 19 F 8.88 4.82 0.00 3.03 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 20 K 9.07 4.80 0.00 1.83 2.02 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.62 1.26 7.81 21 D 8.65 4.46 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 22 G 9.00 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 0.00 0.00 0.00 23 V 7.35 3.81 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 0.62 0.00 0.00 1.04 0.00 0.00 24 S 8.33 4.41 0.00 4.22 3.94 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 25 P 0.00 4.15 0.00 2.16 2.13 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 26 E 8.02 3.93 0.00 2.01 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 2.39 2.41 0.00 27 K 8.21 3.92 0.00 1.78 1.81 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 28 I 7.57 3.07 1.66 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.39 0.00 0.00 29 E 8.01 3.82 0.00 1.96 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 2.49 2.48 0.00 30 E 8.12 3.94 0.00 2.17 2.16 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 2.34 2.37 0.00 31 L 8.19 4.26 0.00 1.85 1.83 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.10 3.95 1.66 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.16 0.49 0.00 0.00 33 K 8.29 4.11 0.00 1.97 1.84 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.63 7.81 34 G 7.89 3.35 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 0.00 35 Y 8.18 3.99 0.00 3.01 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.23 2.58 1.13 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 0.00 0.00 37 N 7.73 4.26 0.00 2.82 2.76 0.00 0.00 7.16 6.65 0.00 0.00 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 L 7.67 4.04 0.00 1.80 1.81 1.27 0.49 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 39 V 7.10 3.45 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 0.74 0.00 0.00 0.81 0.00 0.00 40 N 7.63 4.45 0.00 2.95 2.82 0.00 0.00 7.15 7.91 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 41 L 7.81 4.32 0.00 1.57 1.71 0.86 0.72 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 42 I 7.42 4.36 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.56 1.08 0.00 0.00 43 E 9.29 4.04 0.00 1.94 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 0.00 2.33 2.41 0.00 44 P 0.00 4.61 0.00 2.66 2.25 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 *46 K 7.70 4.34 0.00 1.62 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.34 7.81 47 A 7.27 4.56 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 48 F 8.21 5.12 0.00 2.76 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 49 H 8.72 5.21 0.00 2.98 2.97 0.00 5.85 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.21 5.48 0.00 3.31 2.99 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 51 G 8.79 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 4.79 0.00 1.99 1.73 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.37 7.81 53 D 9.11 4.41 0.00 2.69 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 54 V 8.11 4.46 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 0.83 0.00 0.00 0.89 0.00 0.00 55 S 8.51 4.38 0.00 3.99 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 56 I 8.05 4.50 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 0.68 0.92 0.00 0.00 57 E 8.22 4.14 0.00 1.96 2.00 0.00 0.00 0.00 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 2.29 0.00 58 N 8.15 4.18 0.00 2.83 2.86 0.00 0.00 6.80 7.78 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 59 L 7.69 4.73 0.00 1.70 1.59 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.96 4.29 0.00 3.62 3.70 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.41 3.35 0.00 2.50 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 62 G 8.71 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 63 Y 7.81 4.41 0.00 3.22 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 64 T 9.16 4.68 4.37 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 1.29 0.00 0.00 65 H 8.42 5.50 0.00 3.35 3.07 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.52 4.89 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.47 0.84 0.00 0.00 67 F 9.32 5.15 0.00 3.10 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 68 E 8.95 5.21 0.00 1.97 1.68 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 2.16 2.24 0.00 69 S 9.26 5.17 0.00 3.66 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 70 T 8.21 5.01 4.09 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 1.14 0.00 0.00 71 F 9.30 4.91 0.00 2.88 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 72 E 9.06 4.32 0.00 2.00 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 2.27 2.30 0.00 73 S 7.56 4.60 0.00 4.16 3.94 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 74 K 8.56 3.82 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.52 7.81 75 E 8.21 3.98 0.00 2.10 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 2.40 2.44 0.00 76 A 8.33 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 2.56 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 0.78 0.00 0.00 0.30 0.00 0.00 78 A 7.82 3.92 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 79 E 8.19 3.93 0.00 2.17 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 2.45 0.00 80 Y 8.25 4.43 0.00 3.29 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 81 I 7.64 3.05 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.86 0.86 0.00 0.00 82 A 7.65 4.25 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 83 H 7.61 4.31 0.00 3.43 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.31 0.00 2.30 2.28 0.00 3.36 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 85 A 8.26 4.02 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 86 H 8.27 4.05 0.00 2.80 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.50 3.37 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 0.81 0.00 0.00 0.94 0.00 0.00 88 E 8.35 4.02 0.00 2.09 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 0.00 2.37 2.33 0.00 89 F 8.44 4.28 0.00 3.18 3.12 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 90 A 8.24 3.74 1.17 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 0.00 0.00 91 T 7.36 3.71 4.29 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 1.15 0.00 0.00 92 I 7.33 3.54 1.60 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.39 0.82 0.00 0.00 93 F 7.47 3.78 0.00 2.17 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.28 4.16 0.00 1.75 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.59 3.62 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 0.00 0.00 0.00 96 S 7.80 4.54 0.00 3.85 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 97 L 6.78 4.86 0.00 1.54 1.55 0.99 0.70 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 98 D 8.98 4.50 0.00 2.74 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 99 K 7.86 5.01 0.00 1.31 1.34 0.00 1.07 0.00 0.00 0.66 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.14 7.81 100 V 8.38 5.30 2.16 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 0.77 0.00 0.00 1.09 0.00 0.00 101 L 9.24 4.80 0.00 1.62 1.21 0.68 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.59 5.03 2.16 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 1.00 0.00 0.00 1.03 0.00 0.00 103 I 8.81 4.79 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.94 0.00 0.00 104 D 8.82 5.76 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.92 4.86 0.00 3.05 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 0.00 106 K 8.49 4.77 0.00 1.68 1.80 0.00 1.83 0.00 0.00 2.37 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.28 7.81 107 P 0.00 4.59 0.00 1.92 2.06 0.00 3.59 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 1.88 1.70 0.00 108 T 8.71 4.71 4.29 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 1.24 0.00 0.00 109 S 8.19 4.63 0.00 3.91 3.80 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 0.00 110 V 8.14 3.93 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 0.84 0.00 0.00 0.93 0.00 0.00 111 S 8.07 4.75 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.37 4.32 0.00 1.62 1.57 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.