NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 A 4.0976 8.2595 123.5824 51.8693 21.1993 176.2782 *-4 A 4.1583 7.4212 115.0074 51.9173 19.2579 177.1960 -3 D 4.6388 9.0516 123.6879 58.5470 39.9676 182.6306 -2 I 2.6975 6.6902 117.1481 61.5705 39.1804 174.4949 -1 G 4.2724 7.9381 111.9867 44.0471 0.0000 170.7393 -6 S 4.2476 8.3295 115.4824 57.6693 65.8993 173.0782 *2 G 3.8470 8.8914 120.1311 46.3045 0.0000 170.4961 3 D 5.0221 8.3461 118.5453 51.3132 43.9473 173.2226 4 P 4.0842 0.0000 0.0000 66.0601 31.7034 176.3213 5 L 4.7978 7.7331 117.5081 52.0656 46.3973 177.0935 6 T 4.7648 8.3686 118.0570 63.2099 70.3221 174.8019 7 W 4.3647 8.6371 133.5186 61.3423 30.5236 178.0310 8 S 3.7844 8.2440 113.2805 61.0632 62.2254 176.1426 9 K 3.7536 7.9585 121.5412 58.8242 31.9480 178.6283 10 A 3.9618 7.9350 120.3721 55.9716 18.1460 178.7348 11 L 3.6601 8.2559 116.6061 58.4274 41.3022 179.7481 12 K 3.8909 8.3073 118.5426 60.1255 32.7707 178.1113 13 K 3.9364 8.4521 118.6411 59.9224 32.3910 178.5669 14 L 3.9196 8.4751 119.4776 58.2082 41.6433 179.0586 15 E 4.2948 8.0259 118.3064 58.9142 29.0563 179.3593 16 K 3.8685 7.4834 118.3150 58.3698 32.3685 177.2919 17 V 3.4796 6.9166 116.8724 63.8124 30.4075 176.1134 18 T 4.1251 8.4683 124.3369 64.6562 69.6162 171.5582 19 V 4.4736 7.5453 117.0371 62.4826 34.7167 174.8920 20 Q 3.7940 8.7946 113.9171 56.6314 28.0287 179.5617 21 G 3.5022 7.9937 111.9468 49.0637 0.0000 172.7598 22 S 4.6914 7.0710 112.7484 56.7656 64.1534 176.6707 23 Q 4.4350 7.4588 119.9883 53.7171 31.9450 174.9140 24 K 4.4007 8.5089 124.4427 56.5515 33.4270 175.3582 25 L 4.7656 8.2531 122.1213 54.5408 43.9762 175.9718 26 T 4.5798 8.9074 115.7425 60.4292 70.2619 174.7199 27 T 3.9008 8.9194 119.6173 65.8636 67.2240 175.8152 28 G 3.8347 8.1816 106.5105 48.1723 0.0000 174.5151 29 N 4.3095 9.3492 119.1714 57.4538 38.5416 176.3442 30 C 4.2622 8.5624 118.2855 61.6255 28.1321 175.4723 31 N 4.6497 8.4176 118.5918 56.7484 38.2841 176.8968 32 W 4.2621 8.8831 130.1284 60.5844 30.8535 177.9549 33 A 3.0336 8.2238 120.3510 54.4492 17.6379 179.4806 34 L 4.1996 8.1900 119.4175 58.5709 42.3050 179.0011 35 S 4.1403 8.4776 115.4946 61.8076 62.8450 176.3800 36 L 3.7469 8.5433 124.1549 57.8698 41.5421 179.1243 37 V 3.8696 7.3285 117.6030 64.2098 32.3401 177.6363 38 D 5.1093 8.2092 121.1684 56.0018 40.8106 178.2854 39 L 4.1022 8.0755 120.2748 57.4768 42.3052 178.2425 40 F 3.9540 7.6127 117.7976 60.6900 39.1960 175.7948 41 H 4.9425 8.4732 113.5321 54.4769 29.0694 173.7922 42 D 4.4588 7.8496 118.5842 55.3326 39.5474 174.6951 43 T 4.3415 7.4885 111.2674 61.7386 70.8721 175.4760 44 N 5.2754 7.3767 117.6887 53.4741 39.3325 177.8237 45 F 3.7755 8.4599 117.7553 59.9848 39.1099 178.0468 46 V 3.4893 8.1069 118.4944 64.3604 31.0873 177.1201 47 K 4.2286 7.6025 120.6361 58.4425 32.5009 176.9952 48 E 4.0731 8.0341 117.5412 56.5028 29.8364 177.1745 49 K 4.1218 8.8844 124.5017 59.6469 32.5626 175.1524 50 D 4.5707 7.2431 115.9388 53.1538 44.0612 173.1187 51 W 4.5194 7.2704 117.6526 56.4927 29.6580 173.6848 52 Q 4.7283 8.0223 118.7595 54.5515 29.2448 176.8646 53 L 4.2006 8.8547 123.0008 58.1320 41.9916 179.7025 54 R 4.0227 7.4061 113.8076 59.7487 28.7121 177.8587 55 D 4.4642 7.8267 118.1875 56.4972 41.0090 178.1715 56 V 3.7834 7.2289 111.2167 62.2476 32.2932 177.7458 57 I 3.0685 8.8665 119.7204 64.0233 37.1046 175.6937 58 P 4.2278 0.0000 0.0000 63.6578 31.9445 177.6841 59 L 4.1034 8.7301 120.5627 57.9019 41.2989 178.2541 60 L 3.6031 7.5127 117.2787 58.1753 41.5551 180.4294 61 E 3.9284 7.4465 117.2690 59.3691 29.8528 179.6553 62 D 4.3172 7.6853 117.6233 57.2425 40.3586 178.4749 63 V 2.9524 8.5916 120.1508 65.1535 31.2651 177.9265 64 T 4.3912 7.5665 116.1187 66.6418 68.6425 175.0263 65 Q 4.1501 7.5095 120.1824 57.9254 29.5515 176.8580 66 T 4.1455 8.9055 114.1380 65.7484 69.0732 175.3743 67 L 4.0597 7.5092 121.5467 54.7298 41.3993 176.6285 68 S 4.2147 8.4870 119.9903 60.3310 62.9217 174.8980 69 G 4.0017 8.0273 107.7362 45.6881 0.0000 173.9504 70 Q 3.8892 8.6602 117.2568 59.0444 28.5389 180.0164 71 E 4.3053 8.3762 119.3434 60.4383 29.4493 178.4791 72 R 4.0627 10.6085 118.7111 58.5076 29.8668 177.8770 73 E 3.9757 8.2730 116.8184 60.1889 29.8661 178.6856 74 A 3.8856 9.3070 119.9475 56.2964 18.2876 178.8911 75 F 3.9918 9.4981 117.1894 61.6877 39.4576 177.2644 76 E 3.9428 9.0699 116.4196 59.9233 29.4684 179.0718 77 R 2.5100 7.5469 120.2865 58.5627 29.8890 178.4542 78 T 3.6411 7.4035 114.9560 66.8027 68.3801 176.1196 79 W 3.9402 8.0804 120.8206 59.4126 28.9052 179.8158 80 W 4.0790 8.7437 118.5041 59.3299 28.6371 177.5849 81 A 4.2568 8.6954 121.6966 52.6994 17.3973 179.6887 82 I 3.4722 7.2682 117.1541 63.3340 38.8456 177.2847 83 S 4.3401 8.7211 114.1799 61.0561 63.3108 175.0964 84 A 3.9656 8.3512 124.2900 54.7627 18.5291 179.4850 85 V 3.5407 8.5410 115.2720 66.0963 32.3240 179.0363 86 K 3.8331 8.6606 123.3035 56.2750 31.9706 178.0042 *88 G 3.8233 8.0198 103.4897 44.9639 0.0000 173.9884 89 L 4.2434 7.5440 123.2998 52.9153 40.3515 174.0486 90 Q 3.9636 8.2459 119.2958 55.9475 28.5413 175.8158 91 I 4.4898 8.0757 122.4812 59.4736 40.4591 174.4862 92 N 4.9676 8.4405 117.7813 51.8611 38.9599 174.3240 93 N 4.3597 7.5987 116.9413 53.1476 42.5916 175.2398 94 V 3.6961 8.6325 116.5109 63.2346 30.8133 180.0813 95 V 3.7051 8.1909 126.2211 66.3870 33.9445 174.2832 96 D 4.4580 8.0207 124.2390 58.3831 39.2413 174.2474 97 G 3.4651 8.7787 114.1262 45.0523 0.0000 173.9558 98 K 3.4656 8.3906 124.8929 59.3516 31.9967 177.6910 99 A 3.8593 8.5949 119.8715 54.4123 18.0483 180.2502 100 S 3.9342 7.4570 109.7578 61.0657 64.4687 175.8402 101 F 4.4480 8.4206 124.3478 60.0028 38.8436 177.6658 102 Q 3.6030 8.5068 116.7888 58.5754 28.9246 179.9393 103 L 3.8638 7.7466 121.1263 58.0852 42.1232 178.7716 104 L 3.9144 8.5388 120.6691 58.2549 41.8757 177.9628 105 R 3.8011 7.7042 118.9862 57.5339 29.7944 177.7356 106 A 3.9247 7.8615 122.4192 55.7228 18.7434 178.9975 107 K 3.7052 7.5571 116.2224 59.8431 32.2222 177.4080 108 Y 4.6557 7.7230 116.1232 58.4221 38.3069 175.4372 109 E 4.1723 8.8245 127.5782 56.2311 29.7380 175.4530 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 -6 A 8.26 4.10 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 *-4 A 7.42 4.16 1.30 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 0.00 0.00 0.00 0.00 0.00 -3 D 9.05 4.64 0.00 2.71 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 -2 I 6.69 2.70 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 1.36 0.52 0.92 0.00 0.00 -1 G 7.94 4.27 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 0.00 -6 S 8.33 4.25 0.00 3.66 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 *2 G 8.89 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 3 D 8.35 5.02 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.08 0.00 2.34 2.06 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 5 L 7.73 4.80 0.00 1.65 1.48 0.91 0.89 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 6 T 8.37 4.76 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 1.24 0.00 0.00 7 W 8.64 4.36 0.00 2.84 3.22 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 0.00 0.00 0.00 8 S 8.24 3.78 0.00 4.00 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 9 K 7.96 3.75 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.47 7.81 10 A 7.94 3.96 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 11 L 8.26 3.66 0.00 1.61 1.34 -0.14 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.31 3.89 0.00 1.67 1.80 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.63 7.81 13 K 8.45 3.94 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 L 8.48 3.92 0.00 1.97 1.57 0.90 0.61 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 15 E 8.03 4.29 0.00 2.24 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 0.00 2.49 2.15 0.00 16 K 7.48 3.87 0.00 1.88 1.91 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 17 V 6.92 3.48 2.26 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 0.74 0.00 0.00 0.99 0.00 0.00 18 T 8.47 4.13 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 19 V 7.55 4.47 2.39 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 0.63 0.00 0.00 1.00 0.00 0.00 20 Q 8.79 3.79 0.00 2.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 21 G 7.99 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.07 4.69 0.00 3.76 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 23 Q 7.46 4.44 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.83 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 24 K 8.51 4.40 0.00 1.65 1.98 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.42 7.81 25 L 8.25 4.77 0.00 1.90 1.46 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.91 4.58 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 1.21 0.00 0.00 27 T 8.92 3.90 4.15 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 1.17 0.00 0.00 28 G 8.18 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 9.35 4.31 0.00 2.97 2.92 0.00 0.00 7.01 7.54 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 30 C 8.56 4.26 0.00 3.24 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 31 N 8.42 4.65 0.00 2.94 3.24 0.00 0.00 6.52 7.68 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 32 W 8.88 4.26 0.00 3.47 3.61 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 33 A 8.22 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.19 4.20 0.00 1.86 1.94 0.52 0.16 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 35 S 8.48 4.14 0.00 4.08 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 36 L 8.54 3.75 0.00 1.31 1.68 0.65 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.33 3.87 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 0.94 0.00 0.00 0.87 0.00 0.00 38 D 8.21 5.11 0.00 2.99 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 39 L 8.08 4.10 0.00 1.78 1.90 0.94 0.79 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 40 F 7.61 3.95 0.00 3.12 2.96 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 0.00 41 H 8.47 4.94 0.00 3.21 3.31 0.00 5.88 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.85 4.46 0.00 2.77 2.68 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 0.00 0.00 0.00 43 T 7.49 4.34 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 1.25 0.00 0.00 44 N 7.38 5.28 0.00 2.53 2.55 0.00 0.00 7.69 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 45 F 8.46 3.78 0.00 2.50 1.65 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 0.00 0.00 0.00 0.00 46 V 8.11 3.49 2.34 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 0.77 0.00 0.00 1.06 0.00 0.00 47 K 7.60 4.23 0.00 1.88 2.04 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.54 7.81 48 E 8.03 4.07 0.00 2.22 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 0.00 2.42 2.26 0.00 49 K 8.88 4.12 0.00 1.79 1.96 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.61 7.81 50 D 7.24 4.57 0.00 2.79 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 51 W 7.27 4.52 0.00 3.79 3.23 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 0.00 52 Q 8.02 4.73 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 53 L 8.85 4.20 0.00 1.85 1.86 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.41 4.02 0.00 1.42 0.66 0.00 2.95 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.53 0.00 55 D 7.83 4.46 0.00 3.16 2.98 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 56 V 7.23 3.78 1.22 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 -0.79 0.00 0.00 0.64 0.00 0.00 57 I 8.87 3.07 1.87 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.25 0.78 0.00 0.00 58 P 0.00 4.23 0.00 1.97 2.04 0.00 3.53 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 59 L 8.73 4.10 0.00 1.47 1.58 0.85 0.34 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 60 L 7.51 3.60 0.00 2.04 1.76 0.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.45 3.93 0.00 1.95 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 2.47 2.38 0.00 62 D 7.69 4.32 0.00 2.66 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 63 V 8.59 2.95 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.19 0.00 0.00 64 T 7.57 4.39 4.36 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 1.43 0.00 0.00 65 Q 7.51 4.15 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 66 T 8.91 4.15 4.13 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 1.28 0.00 0.00 67 L 7.51 4.06 0.00 1.61 1.65 0.74 0.74 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 68 S 8.49 4.21 0.00 3.84 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 69 G 8.03 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 0.00 0.00 0.00 70 Q 8.66 3.89 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 71 E 8.38 4.31 0.00 2.13 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 2.48 2.44 0.00 72 R 10.61 4.06 0.00 2.29 1.91 0.00 3.18 0.00 0.00 3.24 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 73 E 8.27 3.98 0.00 1.98 1.90 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 2.43 2.56 0.00 74 A 9.31 3.89 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 75 F 9.50 3.99 0.00 3.18 3.25 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 76 E 9.07 3.94 0.00 2.47 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 2.45 1.99 0.00 77 R 7.55 2.51 0.00 1.45 1.63 0.00 2.86 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.03 0.00 78 T 7.40 3.64 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 79 W 8.08 3.94 0.00 3.20 3.06 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 80 W 8.74 4.08 0.00 3.42 3.25 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 81 A 8.70 4.26 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 82 I 7.27 3.47 1.65 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.45 0.51 0.00 0.00 83 S 8.72 4.34 0.00 4.37 4.46 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 84 A 8.35 3.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 3.54 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 0.76 0.00 0.00 1.01 0.00 0.00 86 K 8.66 3.83 0.00 1.97 2.05 0.00 1.47 0.00 0.00 1.54 0.00 0.00 2.27 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.53 7.81 *88 G 8.02 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.54 4.24 0.00 1.70 1.71 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.25 3.96 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 91 I 8.08 4.49 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.76 1.03 0.00 0.00 92 N 8.44 4.97 0.00 2.71 2.77 0.00 0.00 6.73 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 93 N 7.60 4.36 0.00 2.68 2.83 0.00 0.00 7.20 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 94 V 8.63 3.70 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 0.61 0.00 0.00 0.85 0.00 0.00 95 V 8.19 3.71 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 1.26 0.00 0.00 0.93 0.00 0.00 96 D 8.02 4.46 0.00 2.89 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 97 G 8.78 3.47 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 0.00 98 K 8.39 3.47 0.00 1.31 1.49 0.00 1.21 0.00 0.00 1.04 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.75 0.21 7.81 99 A 8.59 3.86 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 0.00 100 S 7.46 3.93 0.00 4.16 4.14 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 0.00 101 F 8.42 4.45 0.00 2.89 2.93 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 0.00 102 Q 8.51 3.60 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 103 L 7.75 3.86 0.00 1.72 1.82 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.54 3.91 0.00 2.05 1.65 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.70 3.80 0.00 1.29 1.63 0.00 3.29 0.00 0.00 3.28 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.28 0.00 106 A 7.86 3.92 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 0.00 107 K 7.56 3.71 0.00 1.62 1.40 0.00 1.54 0.00 0.00 1.24 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.41 1.15 7.81 108 Y 7.72 4.66 0.00 3.13 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.82 4.17 0.00 1.87 1.74 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 2.22 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.