NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4959 8.2893 120.3513 55.5058 33.3697 175.5429 2 N 4.6592 8.2409 123.6303 50.0536 40.7674 174.3323 3 K 3.8932 8.6750 120.6468 59.8311 32.3561 179.6000 4 G 3.6825 8.1277 105.1397 48.1229 0.0000 175.2888 5 E 4.1616 8.9375 121.5195 58.7231 29.3412 179.2579 6 L 3.9337 8.2044 120.8153 58.1044 42.2328 178.8764 7 V 3.5589 8.0680 118.6309 66.2919 31.3259 177.5936 8 D 4.3093 7.8584 118.1560 57.5757 40.7539 178.8730 9 A 4.0414 7.7620 121.1564 54.7763 18.2039 180.0051 10 V 3.4686 8.1767 117.2182 66.2374 31.7386 178.2043 11 A 3.9540 8.4881 120.7857 54.8505 17.7374 179.3723 12 E 3.8078 8.0376 118.0380 59.5410 29.6092 179.2549 13 K 3.9707 7.9163 116.7778 59.3857 32.1839 178.2718 14 A 4.1270 8.2016 119.1198 52.2487 18.9107 176.9475 15 S 3.7091 7.5197 109.6688 59.9190 60.6640 171.3374 16 V 4.5053 7.4877 111.1149 58.9483 35.7070 176.3750 17 T 4.2193 8.0184 114.1328 61.7296 69.2721 175.1337 18 K 3.9831 8.4586 124.3239 59.3573 32.1062 179.6072 19 K 3.9726 7.9679 119.6423 59.3937 32.2757 178.5870 20 Q 3.9325 8.0175 119.3343 58.9609 29.1612 177.7056 21 A 3.9768 8.1584 121.9872 55.0437 18.3808 179.1854 22 D 4.1762 8.2249 116.3137 57.4231 41.3716 178.2256 23 A 3.9774 7.8899 121.3164 55.1593 18.3069 179.8625 24 V 3.4671 7.6840 116.4263 66.0215 31.5930 177.9481 25 L 3.8978 7.7639 119.9603 58.3903 41.7966 178.9748 26 T 3.7838 8.3209 115.7425 66.7023 68.3778 176.3460 27 A 3.9301 7.9785 122.2781 55.0124 18.3878 179.4233 28 A 3.8741 8.2991 119.5596 55.5311 18.3950 180.0016 29 L 3.8736 8.0649 117.5286 57.7370 41.6270 179.7265 30 E 3.9429 8.4674 119.0504 59.6102 29.3549 179.4280 31 T 3.8595 8.1803 116.1423 66.5184 68.4325 176.6045 32 I 3.6026 7.6504 121.6918 64.4902 37.0594 178.3494 33 I 3.6327 7.3471 120.0852 64.4740 36.9857 178.1141 34 E 3.9263 8.1755 118.9587 59.4782 29.2842 179.4239 35 A 3.9513 8.2507 120.7723 55.2878 18.6407 179.8161 36 V 3.9808 7.8811 118.1755 65.8588 31.3469 178.4091 37 S 4.2465 8.3314 114.6334 61.0088 62.6518 175.7072 38 S 4.6996 7.8325 114.8329 57.9550 63.0689 174.4843 39 G 3.8373 7.9693 108.7415 46.4026 0.0000 172.7974 40 D 4.9845 8.1757 119.0192 51.8986 43.6788 174.9598 41 K 4.5850 8.6487 126.6448 55.8004 33.6436 175.9439 42 V 4.3285 9.1981 128.2263 61.9366 32.8848 174.1279 43 T 4.8343 8.5292 125.1115 61.9495 70.3276 174.4430 44 L 4.7862 9.1691 126.7193 52.6139 44.6129 176.7126 45 V 3.8710 8.5451 117.8506 62.9836 32.6050 175.8007 46 G 4.3700 9.1819 116.6967 45.8720 0.0000 174.5628 47 F 4.4230 7.7182 123.3415 57.1619 39.9990 177.4003 48 G 3.8392 7.3571 106.7491 46.3802 0.0000 171.0071 49 S 5.4353 7.6464 113.8273 56.4079 66.4257 173.1658 50 F 5.6330 9.4686 120.8480 56.0244 42.0036 174.2167 51 E 5.0337 9.0676 119.4593 55.6195 33.2789 174.1788 52 S 5.1944 8.5854 116.1463 57.7739 64.9442 174.1036 53 R 4.6532 8.5055 120.5990 54.2966 33.6612 174.7261 54 E 4.4400 9.0092 124.1236 56.3599 30.5139 176.2066 55 R 4.6036 9.2318 124.7598 54.2277 32.6858 175.3566 56 K 4.6124 8.7658 125.2994 55.8230 33.2671 176.6217 57 A 4.4530 8.4775 124.2061 52.3766 19.0957 176.9869 58 R 4.7457 8.7065 117.4459 54.2634 33.8335 174.0782 59 E 4.5425 8.7734 118.9254 56.5339 30.5825 176.5092 60 G 4.2218 9.0846 109.5385 45.4686 0.0000 170.9690 61 R 5.0228 8.2533 119.0091 54.1996 33.2636 174.0898 62 N 4.3864 9.0518 125.7312 53.3856 39.2454 173.7528 63 P 4.3212 0.0000 0.0000 65.2317 31.7286 177.4971 64 K 4.2715 7.9644 117.8432 58.3079 32.7033 177.8058 65 T 4.0613 7.9871 105.8093 61.5223 69.3262 174.9589 66 N 4.2228 8.1455 118.9012 53.8132 38.8940 173.2844 67 E 4.2110 7.7121 118.7869 56.3132 30.9168 175.7827 68 K 4.6962 8.6375 128.5100 56.8944 33.0470 175.5601 69 M 4.8992 9.2218 123.7052 53.7676 35.4507 173.2814 70 E 4.9036 8.5813 120.9172 54.6621 31.1505 175.3885 71 I 4.0869 8.4367 129.5593 60.4240 37.9872 174.4310 72 P 4.7702 0.0000 0.0000 62.1076 32.3401 176.0280 73 A 4.3228 8.4170 122.5554 52.9514 19.1903 176.5271 74 T 4.7570 8.9299 115.3757 60.9321 71.9857 172.0633 75 R 5.1550 8.4986 119.0215 54.3481 31.8920 175.3811 76 V 4.6082 8.1685 115.0437 58.6248 35.2488 173.4868 77 P 4.9115 0.0000 0.0000 62.8968 32.0909 175.5575 78 A 4.9510 9.3835 124.2439 50.3814 23.2259 174.6892 79 F 5.1618 8.6558 120.4411 56.6545 42.7190 173.7947 80 S 4.4031 7.9709 121.7578 56.3030 65.2213 173.2306 81 A 3.8295 7.9189 126.7104 51.2457 19.2375 177.5139 82 G 3.7252 9.0458 110.1342 45.3183 0.0000 174.7164 83 K 3.9726 8.7906 120.6674 59.5017 31.9865 178.5816 84 L 4.0004 7.9020 119.9646 57.9656 42.1018 178.4477 85 F 4.2584 8.1309 120.1695 61.6649 39.3952 177.4480 86 R 4.0111 8.3040 117.1770 58.6107 29.5294 178.3162 87 E 4.7752 7.9173 118.8271 57.2772 29.7598 178.6062 88 K 4.0601 8.1852 118.3630 59.2272 32.1683 179.1848 89 V 4.0944 7.8564 117.7738 64.4162 32.2863 175.8200 90 A 4.5139 8.0712 121.9317 49.4774 19.6293 172.3574 91 P 4.6915 0.0000 0.0000 62.4828 32.2683 176.0027 *92 P 4.2238 0.0000 0.0000 62.3484 31.3745 173.8934 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 1 M 8.29 4.50 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 2 N 8.24 4.66 0.00 3.02 2.94 0.00 0.00 6.19 6.81 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 3 K 8.67 3.89 0.00 1.83 1.85 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.51 7.81 4 G 8.13 3.68 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 0.00 0.00 0.00 5 E 8.94 4.16 0.00 2.19 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 2.43 0.00 6 L 8.20 3.93 0.00 1.82 1.85 0.91 1.10 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 7 V 8.07 3.56 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 0.86 0.00 0.00 1.05 0.00 0.00 8 D 7.86 4.31 0.00 2.85 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 9 A 7.76 4.04 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 10 V 8.18 3.47 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 1.06 0.00 0.00 0.92 0.00 0.00 11 A 8.49 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.04 3.81 0.00 2.11 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 2.30 2.38 0.00 13 K 7.92 3.97 0.00 1.87 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.37 7.81 14 A 8.20 4.13 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 15 S 7.52 3.71 0.00 4.06 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 16 V 7.49 4.51 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 0.66 0.00 0.00 0.92 0.00 0.00 17 T 8.02 4.22 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 1.23 0.00 0.00 18 K 8.46 3.98 0.00 1.83 1.83 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.49 7.81 19 K 7.97 3.97 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 20 Q 8.02 3.93 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 21 A 8.16 3.98 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 22 D 8.22 4.18 0.00 2.82 2.65 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 23 A 7.89 3.98 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 24 V 7.68 3.47 2.13 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 1.02 0.00 0.00 0.95 0.00 0.00 25 L 7.76 3.90 0.00 1.88 1.83 0.86 0.82 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 26 T 8.32 3.78 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 1.22 0.00 0.00 27 A 7.98 3.93 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 28 A 8.30 3.87 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 29 L 8.06 3.87 0.00 1.76 1.65 0.88 1.06 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 30 E 8.47 3.94 0.00 2.17 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 2.30 2.38 0.00 31 T 8.18 3.86 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 1.20 0.00 0.00 32 I 7.65 3.60 1.76 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.32 0.00 0.00 33 I 7.35 3.63 1.98 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 1.47 0.75 0.89 0.00 0.00 34 E 8.18 3.93 0.00 2.12 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 2.39 2.53 0.00 35 A 8.25 3.95 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 36 V 7.88 3.98 2.11 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 1.44 0.00 0.00 1.11 0.00 0.00 37 S 8.33 4.25 0.00 4.07 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 38 S 7.83 4.70 0.00 4.05 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 39 G 7.97 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 0.00 0.00 0.00 40 D 8.18 4.98 0.00 2.77 2.66 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 41 K 8.65 4.59 0.00 1.84 1.72 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.66 7.81 42 V 9.20 4.33 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 1.09 0.00 0.00 1.00 0.00 0.00 43 T 8.53 4.83 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 1.23 0.00 0.00 44 L 9.17 4.79 0.00 1.95 1.74 1.16 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.55 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 0.71 0.00 0.00 0.97 0.00 0.00 46 G 9.18 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 0.00 0.00 0.00 0.00 47 F 7.72 4.42 0.00 3.16 3.17 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 48 G 7.36 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 0.00 0.00 0.00 49 S 7.65 5.44 0.00 3.80 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 50 F 9.47 5.63 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 51 E 9.07 5.03 0.00 2.07 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 0.00 2.23 2.33 0.00 52 S 8.59 5.19 0.00 3.81 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 53 R 8.51 4.65 0.00 1.75 1.78 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 54 E 9.01 4.44 0.00 1.86 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 2.32 2.26 0.00 55 R 9.23 4.60 0.00 1.84 1.79 0.00 3.10 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 56 K 8.77 4.61 0.00 1.68 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.45 7.81 57 A 8.48 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.71 4.75 0.00 1.85 1.99 0.00 2.77 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 59 E 8.77 4.54 0.00 1.88 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 2.31 2.31 0.00 60 G 9.08 4.22 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 0.00 0.00 0.00 61 R 8.25 5.02 0.00 1.77 1.76 0.00 3.25 0.00 0.00 3.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 62 N 9.05 4.39 0.00 2.83 2.71 0.00 0.00 6.55 7.24 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 63 P 0.00 4.32 0.00 2.21 2.18 0.00 3.80 0.00 0.00 3.79 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 64 K 7.96 4.27 0.00 1.72 1.89 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.50 7.81 65 T 7.99 4.06 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 1.25 0.00 0.00 66 N 8.15 4.22 0.00 2.87 2.96 0.00 0.00 7.10 7.07 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 67 E 7.71 4.21 0.00 2.08 1.79 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 2.30 2.26 0.00 68 K 8.64 4.70 0.00 1.79 1.70 0.00 1.67 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.50 7.81 69 M 9.22 4.90 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 70 E 8.58 4.90 0.00 1.99 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 2.21 2.42 0.00 71 I 8.44 4.09 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 1.29 0.39 0.91 0.00 0.00 72 P 0.00 4.77 0.00 2.07 2.06 0.00 3.77 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 1.99 1.98 0.00 73 A 8.42 4.32 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 74 T 8.93 4.76 4.25 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 1.22 0.00 0.00 75 R 8.50 5.16 0.00 1.82 1.87 0.00 3.04 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 76 V 8.17 4.61 2.11 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 0.78 0.00 0.00 0.95 0.00 0.00 77 P 0.00 4.91 0.00 2.01 2.06 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 78 A 9.38 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.66 5.16 0.00 2.92 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 80 S 7.97 4.40 0.00 3.40 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.05 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 83 K 8.79 3.97 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.50 7.81 84 L 7.90 4.00 0.00 1.83 1.82 0.94 0.91 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 85 F 8.13 4.26 0.00 3.32 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 86 R 8.30 4.01 0.00 2.03 1.93 0.00 3.07 0.00 0.00 3.03 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 87 E 7.92 4.78 0.00 2.15 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 2.28 2.34 0.00 88 K 8.19 4.06 0.00 1.82 1.92 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.59 7.81 89 V 7.86 4.09 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 0.82 0.00 0.00 1.19 0.00 0.00 90 A 8.07 4.51 1.23 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 0.00 0.00 91 P 0.00 4.69 0.00 2.06 2.01 0.00 3.78 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 *92 P 0.00 4.22 0.00 1.84 1.86 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.