NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0422 8.0244 114.2687 60.9199 37.5675 174.2605 4 R 4.1515 7.8700 127.2053 52.9147 30.8949 171.9714 5 P 4.3194 0.0000 0.0000 62.7010 33.2941 176.4752 6 L 4.6137 8.2235 124.2096 54.5308 41.5763 172.5402 7 H 4.2530 8.3911 121.7258 55.9971 30.3797 175.3562 8 D 4.5935 9.2071 125.5829 55.7581 42.1040 173.9101 9 R 4.5393 7.4889 116.2851 56.8710 31.4681 176.0693 10 V 4.6775 9.0273 120.8946 61.4484 35.7077 173.6372 11 I 4.9550 8.8413 127.7947 59.7553 39.6944 175.1681 12 V 5.0821 8.7976 119.2154 59.5337 36.7437 174.0901 13 K 4.7853 8.6501 121.3995 55.0566 34.5715 176.0436 14 R 4.5647 8.6091 124.4380 56.4711 30.9443 176.1561 15 K 4.4393 8.7991 125.4651 55.0953 33.7323 176.5467 16 E 3.8376 8.7926 119.9938 56.9439 29.6095 177.9196 17 V 3.7073 8.3415 122.8829 63.8371 32.3216 175.3383 18 E 3.6941 8.9238 125.7546 56.8463 27.6970 174.9304 19 T 3.9309 7.9071 114.5167 64.3543 68.9485 174.7972 20 K 4.3000 8.6922 125.3878 56.3352 31.9296 176.6498 21 S 5.0084 7.8165 112.5094 57.0136 65.7700 172.9917 22 A 4.2527 8.9043 124.0867 52.7720 22.4809 176.0408 23 G 4.0666 8.5525 108.4246 45.6986 0.0000 173.7435 24 G 3.7107 7.2122 112.5035 45.1794 0.0000 173.8439 25 I 4.3149 7.2781 118.8014 62.0468 40.0854 176.4652 26 V 3.6506 7.2336 119.8698 63.5131 32.2707 174.6735 27 L 5.1381 8.4909 129.1418 53.7808 43.5671 175.0917 28 T 4.5987 8.4766 120.5629 60.2523 69.8935 174.5502 29 G 3.9356 8.3921 115.4331 44.8640 0.0000 173.0849 30 S 4.8439 8.5372 113.8020 57.0442 63.9056 174.1695 31 A 4.4735 8.9158 123.2195 52.1474 20.8707 176.3541 32 A 4.2346 8.3880 119.0492 52.3546 19.9630 178.2588 33 A 4.6812 8.1093 125.8566 52.7716 20.5522 175.6487 34 K 4.2531 8.4434 119.3843 56.7473 37.7259 176.3582 35 S 4.9736 8.5375 112.5975 57.3888 67.0607 174.8743 36 T 3.3660 8.5296 113.3559 62.6789 70.3352 174.0367 37 R 4.7317 7.7167 123.0080 55.1418 31.6614 175.4992 38 G 4.6220 9.2524 111.5611 44.2809 0.0000 170.9957 39 E 4.8929 9.0373 125.1658 54.9033 31.1961 175.6347 40 V 3.9402 8.9406 128.3501 63.2582 32.0808 176.2199 41 L 4.4942 8.8532 127.4536 56.0673 43.5253 176.7247 42 A 4.5964 7.5766 117.4598 50.7925 22.4796 175.3372 43 V 4.5752 8.2751 120.4659 60.6491 34.1469 175.6045 44 G 4.0528 8.2693 114.8552 45.1561 0.0000 173.5252 45 N 4.6511 8.2507 116.8891 52.6523 35.7281 176.6343 46 G 3.6616 8.1470 110.7462 46.0988 0.0000 173.7963 47 R 4.6436 8.4867 122.7504 54.9837 31.5975 175.9873 48 I 4.3624 8.1225 131.3902 61.2174 37.3158 175.8046 49 L 4.6482 7.4131 119.5655 53.9339 44.4971 177.8451 50 E 3.7585 9.2167 118.9992 55.9422 28.6848 174.6901 51 N 4.6810 8.1488 117.9837 55.2055 39.7986 175.0939 52 G 3.7321 7.6954 106.6312 45.5172 0.0000 173.9093 53 E 3.7419 8.0726 125.5101 55.7920 28.6275 173.1089 54 V 4.4019 8.1423 118.6239 61.7644 32.9026 175.9771 55 K 4.7085 8.3401 127.3549 54.7251 35.1741 174.2863 56 P 4.7748 0.0000 0.0000 62.7103 32.6517 175.0851 57 L 4.8036 8.3048 119.5554 53.3425 43.3458 176.3610 58 D 4.6977 8.7889 120.2273 54.2205 42.0939 176.9255 59 V 3.9213 8.2085 112.3805 62.1551 31.9604 175.3078 60 K 4.6473 7.9993 118.9508 55.1640 35.4057 175.7396 61 V 3.7977 8.1405 120.5450 64.1848 32.0217 176.4478 62 G 3.9708 9.0528 115.6096 45.1632 0.0000 173.1059 63 D 4.7731 7.3263 119.8144 53.3548 43.5292 175.8100 64 I 4.7856 8.1576 120.7417 60.2210 37.7747 176.1167 65 V 4.3048 8.7180 121.3642 60.5691 33.8879 175.7284 66 I 4.7649 8.8893 125.0418 60.0211 38.3583 174.8194 67 F 5.3346 8.4746 122.8260 54.9215 40.5502 175.5513 68 N 4.5581 8.6416 119.9484 52.1943 38.5992 173.7947 69 D 4.6272 8.7614 125.9818 55.1853 41.7902 175.9506 70 G 4.0241 8.6047 114.7636 46.2573 0.0000 170.9091 71 Y 4.0842 9.0843 119.8204 60.9594 38.7316 179.3109 72 G 3.8996 8.1223 106.2910 47.1751 0.0000 173.5577 73 V 3.7614 7.9906 121.2622 62.3750 32.2408 175.7057 74 K 4.4293 8.9344 128.5457 54.5870 33.9014 175.4522 75 S 4.5817 8.5565 120.9628 58.0399 63.1935 173.0775 76 E 4.7597 9.4334 125.7718 54.4387 34.2270 174.6281 77 K 4.9464 8.7030 123.2193 55.0611 34.0424 175.1043 78 I 4.3336 8.3634 129.3381 60.4217 38.8486 177.8608 79 D 4.5156 9.0196 124.8823 54.2928 40.0256 173.8846 80 N 4.7068 7.3552 125.6566 54.1901 39.1846 174.5825 81 E 4.3032 7.5370 118.2702 55.4468 30.5208 175.2475 82 E 4.4874 8.5352 120.9459 56.7606 30.1636 176.6439 83 V 4.6628 9.0485 117.3490 59.7439 36.8192 174.2052 84 L 5.1276 8.8961 119.8556 53.4721 46.4307 175.6689 85 I 4.9155 8.6371 123.0377 60.0254 40.1959 174.6498 86 M 4.3648 8.6324 123.8099 54.6124 34.6188 173.8577 87 S 5.1388 8.9334 113.3637 56.6795 66.8621 174.6367 88 E 4.0081 9.0066 122.8587 59.4305 29.4524 179.2602 89 S 4.1789 8.0763 113.9867 61.2069 62.9891 174.8818 90 D 4.6768 8.1431 118.7428 54.6985 41.1897 175.8259 91 I 4.7016 7.5607 120.7767 59.8773 38.6702 175.4650 92 L 4.3382 8.7020 124.4653 56.3366 42.8412 176.5811 93 A 4.4807 7.2363 117.8834 52.0470 22.4365 175.8040 94 I 4.4838 8.0502 122.6218 62.0200 36.8250 177.4068 *95 V 3.9215 8.3873 125.5224 62.0788 32.1549 173.3520 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 3 I 8.02 4.04 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.12 0.90 0.00 0.00 4 R 7.87 4.15 0.00 1.80 1.84 0.00 3.29 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 5 P 0.00 4.32 0.00 2.35 2.14 0.00 3.72 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 2.18 2.07 0.00 6 L 8.22 4.61 0.00 1.60 1.63 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.39 4.25 0.00 3.59 3.40 0.00 5.93 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 8 D 9.21 4.59 0.00 2.93 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 9 R 7.49 4.54 0.00 1.74 1.81 0.00 3.25 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 10 V 9.03 4.68 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 0.94 0.00 0.00 1.00 0.00 0.00 11 I 8.84 4.95 1.84 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 1.19 0.56 0.90 0.00 0.00 12 V 8.80 5.08 2.18 0.00 0.00 0.00 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 0.73 0.00 0.00 13 K 8.65 4.79 0.00 1.82 1.92 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.38 7.81 14 R 8.61 4.56 0.00 2.02 1.96 0.00 3.31 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 15 K 8.80 4.44 0.00 1.80 1.76 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.45 7.81 16 E 8.79 3.84 0.00 1.95 1.94 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 2.33 2.28 0.00 17 V 8.34 3.71 2.09 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 1.07 0.00 0.00 0.95 0.00 0.00 18 E 8.92 3.69 0.00 2.20 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 2.23 2.38 0.00 19 T 7.91 3.93 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 1.21 0.00 0.00 20 K 8.69 4.30 0.00 1.86 1.80 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.55 7.81 21 S 7.82 5.01 0.00 3.93 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 22 A 8.90 4.25 1.24 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 0.00 0.00 23 G 8.55 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 24 G 7.21 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 25 I 7.28 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 1.30 0.72 0.91 0.00 0.00 26 V 7.23 3.65 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 0.89 0.00 0.00 0.93 0.00 0.00 27 L 8.49 5.14 0.00 1.68 1.52 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 28 T 8.48 4.60 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 29 G 8.39 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 30 S 8.54 4.84 0.00 3.87 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 31 A 8.92 4.47 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.39 4.23 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.11 4.68 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.44 4.25 0.00 1.86 1.45 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.60 1.57 7.81 35 S 8.54 4.97 0.00 3.76 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 36 T 8.53 3.37 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 1.03 0.00 0.00 37 R 7.72 4.73 0.00 1.80 1.90 0.00 3.01 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 38 G 9.25 4.62 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 39 E 9.04 4.89 0.00 2.08 1.85 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 2.29 2.44 0.00 40 V 8.94 3.94 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 0.98 0.00 0.00 1.03 0.00 0.00 41 L 8.85 4.49 0.00 1.62 1.68 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.58 4.60 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.28 4.58 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 44 G 8.27 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.25 4.65 0.00 2.63 2.83 0.00 0.00 6.87 7.65 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 46 G 8.15 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.49 4.64 0.00 1.83 1.96 0.00 3.10 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 48 I 8.12 4.36 1.52 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 1.29 0.37 0.83 0.00 0.00 49 L 7.41 4.65 0.00 1.69 1.55 0.94 0.85 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 50 E 9.22 3.76 0.00 2.08 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 0.00 2.18 2.34 0.00 51 N 8.15 4.68 0.00 2.87 2.95 0.00 0.00 7.09 8.97 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 52 G 7.70 3.73 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 0.00 0.00 0.00 53 E 8.07 3.74 0.00 2.14 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 2.20 2.28 0.00 54 V 8.14 4.40 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 0.86 0.00 0.00 0.90 0.00 0.00 55 K 8.34 4.71 0.00 1.78 1.90 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.52 7.81 56 P 0.00 4.77 0.00 2.10 2.11 0.00 3.74 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 1.99 2.00 0.00 57 L 8.30 4.80 0.00 1.65 1.77 0.95 1.03 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 58 D 8.79 4.70 0.00 2.63 2.67 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 0.00 0.00 0.00 59 V 8.21 3.92 2.09 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 0.76 0.00 0.00 0.94 0.00 0.00 60 K 8.00 4.65 0.00 1.88 1.85 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 61 V 8.14 3.80 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 0.82 0.00 0.00 0.93 0.00 0.00 62 G 9.05 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 63 D 7.33 4.77 0.00 2.75 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 64 I 8.16 4.79 1.89 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 1.37 0.57 0.94 0.00 0.00 65 V 8.72 4.30 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 0.74 0.00 0.00 1.12 0.00 0.00 66 I 8.89 4.76 1.87 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 1.25 0.63 0.83 0.00 0.00 67 F 8.47 5.33 0.00 2.98 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 68 N 8.64 4.56 0.00 2.83 2.88 0.00 0.00 7.08 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 69 D 8.76 4.63 0.00 2.59 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 70 G 8.60 4.02 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 0.00 0.00 0.00 71 Y 9.08 4.08 0.00 2.92 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 72 G 8.12 3.90 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 0.00 0.00 0.00 73 V 7.99 3.76 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 0.65 0.00 0.00 1.01 0.00 0.00 74 K 8.93 4.43 0.00 1.66 1.65 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.51 1.42 7.81 75 S 8.56 4.58 0.00 3.87 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 76 E 9.43 4.76 0.00 1.79 1.73 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 2.17 2.33 0.00 77 K 8.70 4.95 0.00 1.69 1.69 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.56 7.81 78 I 8.36 4.33 1.86 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 1.28 0.47 0.90 0.00 0.00 79 D 9.02 4.52 0.00 2.83 2.81 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 0.00 0.00 0.00 80 N 7.36 4.71 0.00 2.75 2.97 0.00 0.00 7.23 8.49 0.00 0.00 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 E 7.54 4.30 0.00 2.22 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 2.39 2.39 0.00 82 E 8.54 4.49 0.00 1.86 1.91 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 2.32 2.30 0.00 83 V 9.05 4.66 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 0.73 0.00 0.00 0.93 0.00 0.00 84 L 8.90 5.13 0.00 1.34 1.28 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.64 4.92 1.81 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 1.23 0.75 0.88 0.00 0.00 86 M 8.63 4.36 0.00 1.80 2.18 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 87 S 8.93 5.14 0.00 4.00 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 88 E 9.01 4.01 0.00 1.98 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 2.32 2.31 0.00 89 S 8.08 4.18 0.00 3.96 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 90 D 8.14 4.68 0.00 2.90 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 91 I 7.56 4.70 2.07 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 1.43 0.72 0.99 0.00 0.00 92 L 8.70 4.34 0.00 1.59 1.72 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.24 4.48 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.05 4.48 1.88 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 1.30 0.69 0.96 0.00 0.00 *95 V 8.39 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.