NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3218 0.0000 0.0000 62.7609 33.1254 176.3982 3 I 3.2505 7.0632 113.4737 57.2936 37.6068 174.7138 4 T 3.4380 9.8869 110.5959 63.9755 65.8721 165.8636 5 K 4.4061 7.8309 134.6596 54.7281 37.7817 174.3203 6 E 4.5696 7.7268 115.3030 58.3559 32.5834 180.5607 7 E 4.0422 8.4739 121.3966 62.2744 29.7830 181.9968 8 K 4.2989 8.2318 125.8255 60.3951 31.5851 180.3896 9 Q 4.3070 8.6658 123.0508 60.8404 27.9298 182.5362 10 K 4.3048 8.1303 127.1002 60.5544 32.0578 181.6629 11 V 4.0707 7.9627 123.2281 66.3292 31.6065 180.8093 12 I 3.9906 8.7355 124.5375 65.8119 35.1114 180.6931 13 Q 4.6230 9.2119 124.0946 59.6851 28.0808 179.8661 14 E 4.5936 8.0745 118.5791 60.2683 30.1371 182.7838 *15 F 4.7079 7.7353 112.3278 56.9335 40.9585 179.7356 16 A 4.0193 8.5135 124.8213 53.7159 17.7162 178.9831 17 R 3.9544 8.7904 122.0730 58.3877 29.8298 174.3177 *18 F 4.4714 8.3944 119.7410 57.0431 42.1666 176.1187 19 P 4.3501 0.0000 0.0000 66.2558 29.9121 176.9310 20 G 3.9934 9.0063 115.3706 45.0297 0.0000 172.6825 21 D 4.3826 8.6169 121.5326 54.6489 39.8877 183.2165 22 T 4.7590 8.7448 118.3432 56.0339 68.9525 171.2482 23 G 5.1569 7.8782 127.0413 46.1098 0.0000 172.2780 24 S 4.4146 7.4273 122.8706 60.7235 64.2249 181.1093 25 T 4.1082 8.6383 118.5305 68.1905 68.0617 177.3540 26 E 4.1236 8.3066 123.2840 61.9797 29.8299 182.0270 27 V 3.9681 8.0359 122.0052 67.2518 31.8422 180.6325 28 Q 4.0116 8.4701 122.0037 61.0408 27.8376 183.0241 29 V 3.6821 8.2204 119.2921 66.2641 31.9939 179.9656 30 A 3.9515 8.6047 120.4686 55.8884 18.0759 180.7782 31 L 3.8630 7.6158 121.3473 59.0154 41.8233 182.4272 32 L 4.2997 8.7643 126.7658 59.9422 40.7672 181.8088 33 T 4.1209 8.8503 119.1775 66.5677 68.5608 178.6509 34 L 4.2249 8.3076 128.5604 60.2530 40.8145 182.3407 35 R 4.2050 8.0000 123.7594 61.8634 29.3001 181.0236 36 I 3.9294 8.1293 124.1346 65.7452 35.4485 179.9993 37 N 4.5998 8.5358 123.6367 58.2464 37.1898 179.9380 38 R 4.2282 7.9870 125.1824 61.9215 29.3495 181.4027 39 L 4.3018 8.4886 126.0802 59.8463 40.7767 181.4486 40 S 4.4003 8.6874 122.3328 64.0655 62.4397 178.4118 41 E 4.3832 8.3298 124.2509 62.2776 29.4246 181.6475 *42 H 4.3822 8.0300 122.1411 60.4012 27.4487 180.1640 43 L 4.4063 8.3553 127.2215 59.4150 40.4369 182.0947 44 K 4.3948 7.9251 124.2330 61.3847 31.7369 184.3203 45 V 4.2249 7.9841 122.0074 64.7415 32.2960 180.0212 *46 H 4.7825 8.3772 122.2743 53.6256 26.7221 178.9955 47 K 4.4351 8.3056 127.4184 55.7233 32.0061 178.2417 48 K 4.4559 7.9215 119.7815 56.0066 32.9156 182.7109 49 D 4.7746 7.7489 121.1352 54.0233 38.8608 182.8951 *50 H 4.1940 8.3163 125.3810 61.9315 28.2359 178.0953 *51 H 4.3980 8.4728 122.7002 60.2091 27.7106 180.3332 52 S 4.4402 8.2332 122.2453 64.5827 61.9761 179.2358 *53 H 4.5338 8.1132 123.0332 59.6921 27.8481 180.7045 54 R 4.3901 10.2085 120.8708 62.0471 29.3561 184.2043 55 G 4.0991 8.3449 108.7330 48.1562 0.0000 175.9660 56 L 4.0666 8.0739 126.7749 60.2677 41.0118 183.8378 57 L 4.3447 8.0594 125.7761 59.8782 40.4506 181.7070 58 M 4.3283 8.0087 121.4966 60.7637 31.4422 182.9916 59 M 4.3272 8.0109 123.5515 60.4357 31.4612 181.5881 60 V 3.9787 8.4482 121.2785 66.0654 31.7321 180.6042 61 G 3.8462 8.2114 108.9453 48.2983 0.0000 175.9207 62 Q 4.0361 10.7000 125.0934 61.0073 27.9734 181.6460 63 R 4.2224 9.0486 124.8603 62.2048 29.4724 181.4922 64 R 4.1788 7.7801 123.9311 62.1645 29.3284 181.2097 65 R 4.2040 8.5700 124.2142 61.9642 29.2208 181.0267 66 L 4.2435 7.7500 125.7019 60.1063 40.8049 181.6534 67 L 4.1553 8.0099 125.9101 60.2507 40.9023 182.2676 68 R 3.8420 8.3179 123.8160 61.7873 29.2680 181.3618 *69 Y 4.3186 7.9748 122.8682 62.7507 36.7623 181.7742 70 L 4.2868 8.8144 127.9980 60.0332 40.8052 181.7411 71 Q 4.0445 8.8457 120.9304 58.0929 28.1751 180.3849 72 R 4.3320 7.5184 115.7300 58.2553 30.1111 180.8141 73 E 4.5741 8.7152 113.8914 55.1814 30.2948 181.0251 74 D 5.7188 7.2510 135.0000 53.8172 42.5194 179.8130 75 P 4.4282 0.0000 0.0000 68.0518 29.5812 179.5224 76 E 4.2529 8.3760 118.7237 62.2286 29.5552 183.1210 77 R 4.5057 8.2328 123.2528 61.0095 29.6673 180.3766 *78 Y 4.2406 8.0097 121.5870 63.3636 36.9831 184.0993 79 R 3.9566 8.2823 121.0628 61.2545 29.5419 180.1804 80 A 4.2298 7.8135 121.2072 55.8859 18.2261 180.4123 81 L 4.2086 7.6012 120.8296 60.2939 41.3848 181.5679 82 I 4.1260 7.7110 123.5486 65.8911 35.4404 180.6006 83 E 4.3410 8.8029 122.9599 61.3185 29.2548 181.2649 84 K 4.6152 8.6537 124.2293 57.8271 31.7488 180.5209 85 L 4.8450 7.6091 117.0094 53.3868 43.5790 180.7785 86 G 3.9440 7.9241 108.3613 47.8785 0.0000 173.6049 87 I 4.5281 7.1650 121.0163 62.0413 39.2448 177.5609 88 R 3.6946 7.5793 111.4552 57.6579 31.8441 172.4755 89 G 3.5359 8.7589 107.2448 47.3610 0.0000 172.3066 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 P 0.00 4.32 0.00 2.11 2.03 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 3 I 7.06 3.25 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 0.99 0.91 0.00 0.00 4 T 9.89 3.44 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 K 7.83 4.41 0.00 1.70 1.66 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.15 0.88 7.81 6 E 7.73 4.57 0.00 1.85 1.92 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 2.20 1.82 0.00 7 E 8.47 4.04 0.00 1.97 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 2.32 2.00 0.00 8 K 8.23 4.30 0.00 1.76 1.80 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.13 7.81 9 Q 8.67 4.31 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 10 K 8.13 4.30 0.00 1.84 1.80 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 1.38 1.12 7.81 11 V 7.96 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 12 I 8.74 3.99 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 0.53 0.91 0.00 0.00 13 Q 9.21 4.62 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 14 E 8.07 4.59 0.00 2.08 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 2.18 0.00 *15 F 7.74 4.71 0.00 2.25 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 16 A 8.51 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 17 R 8.79 3.95 0.00 1.84 1.87 0.00 3.36 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 *18 F 8.39 4.47 0.00 2.17 2.15 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 19 P 0.00 4.35 0.00 2.08 1.97 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 20 G 9.01 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 21 D 8.62 4.38 0.00 2.67 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 22 T 8.74 4.76 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 G 7.88 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 24 S 7.43 4.41 0.00 3.75 3.77 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 25 T 8.64 4.11 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 26 E 8.31 4.12 0.00 1.96 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 2.33 2.00 0.00 27 V 8.04 3.97 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 0.75 0.00 0.00 0.93 0.00 0.00 28 Q 8.47 4.01 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 29 V 8.22 3.68 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 30 A 8.60 3.95 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 31 L 7.62 3.86 0.00 1.72 1.67 0.92 0.56 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 32 L 8.76 4.30 0.00 1.60 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.85 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 34 L 8.31 4.22 0.00 1.62 1.75 0.92 0.89 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 35 R 8.00 4.20 0.00 1.84 1.96 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 36 I 8.13 3.93 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 0.53 0.91 0.00 0.00 37 N 8.54 4.60 0.00 2.71 2.88 0.00 0.00 7.27 8.48 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 38 R 7.99 4.23 0.00 1.85 1.98 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 39 L 8.49 4.30 0.00 1.60 1.70 0.92 0.97 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 40 S 8.69 4.40 0.00 3.63 3.84 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 41 E 8.33 4.38 0.00 1.97 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 2.26 2.23 0.00 *42 H 8.03 4.38 0.00 2.89 3.12 0.00 7.18 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.36 4.41 0.00 1.63 1.71 0.92 1.09 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 44 K 7.93 4.39 0.00 1.87 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 45 V 7.98 4.22 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 0.94 0.00 0.00 0.93 0.00 0.00 *46 H 8.38 4.78 0.00 2.83 3.00 0.00 7.17 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.31 4.44 0.00 1.77 1.75 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 0.96 7.81 48 K 7.92 4.46 0.00 1.76 1.71 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.28 0.98 7.81 49 D 7.75 4.77 0.00 2.64 2.63 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 *50 H 8.32 4.19 0.00 3.00 3.06 0.00 7.18 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 *51 H 8.47 4.40 0.00 2.91 3.04 0.00 7.19 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 52 S 8.23 4.44 0.00 3.72 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 *53 H 8.11 4.53 0.00 3.02 3.02 0.00 7.17 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 10.21 4.39 0.00 1.82 1.95 0.00 3.26 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 55 G 8.34 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 0.00 0.00 0.00 0.00 56 L 8.07 4.07 0.00 1.68 1.69 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.06 4.34 0.00 1.66 1.71 0.92 0.83 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 58 M 8.01 4.33 0.00 2.02 2.08 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 2.60 2.17 0.00 59 M 8.01 4.33 0.00 1.97 2.12 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 2.54 2.45 0.00 60 V 8.45 3.98 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 61 G 8.21 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 62 Q 10.70 4.04 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 63 R 9.05 4.22 0.00 1.76 1.99 0.00 3.27 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 64 R 7.78 4.18 0.00 1.76 2.00 0.00 3.26 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 65 R 8.57 4.20 0.00 1.75 1.99 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 66 L 7.75 4.24 0.00 1.59 1.72 0.92 0.66 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 67 L 8.01 4.16 0.00 1.66 1.73 0.92 1.06 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 68 R 8.32 3.84 0.00 1.81 1.97 0.00 3.23 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 *69 Y 7.97 4.32 0.00 2.33 2.32 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 70 L 8.81 4.29 0.00 1.60 1.71 0.92 0.40 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 71 Q 8.85 4.04 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 72 R 7.52 4.33 0.00 1.92 1.86 0.00 3.22 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 73 E 8.72 4.57 0.00 1.99 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 2.20 2.11 0.00 74 D 7.25 5.72 0.00 2.76 2.69 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 75 P 0.00 4.43 0.00 2.06 2.12 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.68 0.00 76 E 8.38 4.25 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 2.32 1.96 0.00 77 R 8.23 4.51 0.00 1.83 1.96 0.00 3.24 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 *78 Y 8.01 4.24 0.00 2.31 2.29 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 79 R 8.28 3.96 0.00 1.82 1.94 0.00 3.27 0.00 0.00 3.17 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 80 A 7.81 4.23 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 81 L 7.60 4.21 0.00 1.74 1.60 0.92 1.39 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 82 I 7.71 4.13 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 0.53 0.91 0.00 0.00 83 E 8.80 4.34 0.00 1.92 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 2.25 2.20 0.00 84 K 8.65 4.62 0.00 1.77 1.72 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 85 L 7.61 4.84 0.00 1.61 1.51 0.92 0.77 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 86 G 7.92 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 0.00 0.00 0.00 87 I 7.17 4.53 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 0.85 0.91 0.00 0.00 88 R 7.58 3.69 0.00 1.89 1.96 0.00 3.30 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 89 G 8.76 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 * Residues marked with a * may have inaccurate shift predictions.