NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7883 8.3049 120.6124 55.4989 33.2519 174.3636 2 E 4.7038 9.2525 124.2029 53.6984 33.3542 173.3235 3 K 4.9435 8.6149 122.8742 55.0653 36.3760 174.8960 4 K 4.3872 9.0541 126.3153 55.0529 36.0804 173.8783 5 E 4.9719 8.4199 128.1390 54.7852 30.9651 174.7730 6 F 5.0287 9.4575 125.2001 55.8768 43.4494 173.5030 7 H 5.2767 8.7090 119.9944 54.4043 32.3873 172.9058 8 I 4.1789 8.8614 128.1036 61.6176 37.4227 176.9583 9 V 4.4835 8.7033 119.7556 61.2427 33.7475 176.6277 10 A 4.0580 7.9660 124.0840 51.9244 18.9462 177.6932 11 E 3.9119 8.9681 123.2914 59.5389 29.6703 178.1418 12 T 4.1729 7.9105 105.1478 61.1685 70.1567 176.7053 13 G 3.6975 7.5983 110.8523 46.6704 0.0000 175.7740 14 I 4.0666 7.8098 118.1614 59.9837 35.7130 174.1700 15 H 4.6766 7.8386 120.9765 54.6296 34.2338 173.7882 16 A 3.6722 8.5211 122.0699 53.3583 16.8686 179.6060 17 R 3.8523 8.6463 111.4343 60.3593 30.2076 176.9092 18 P 4.1919 0.0000 0.0000 65.5164 31.2058 178.4250 19 A 3.9069 7.6946 119.3235 55.5567 18.3619 179.7158 20 T 3.7840 7.7537 114.0956 66.8715 68.5222 176.8511 21 L 3.9768 8.2551 121.1729 57.5675 41.5836 179.3076 22 L 3.9201 8.0510 120.3898 58.1245 42.0662 179.1803 23 V 3.8306 7.8993 119.7116 65.6632 31.2342 178.0349 24 Q 4.0005 7.9998 116.7066 59.0968 28.8278 178.6360 25 T 3.9659 8.0501 116.5390 66.5973 68.5576 176.4412 26 A 4.2347 8.1887 122.7115 55.5462 18.2184 179.8201 27 S 4.1864 7.9286 111.9618 61.0958 62.9127 176.4716 28 K 3.8750 7.5267 119.8590 56.8376 32.0470 176.7610 29 F 5.0927 6.8345 117.6441 55.5703 41.0429 175.5113 30 N 4.5133 9.0953 121.8874 56.3730 38.8124 175.9949 31 S 4.5253 8.2476 113.9955 58.6039 64.4994 173.3301 32 D 4.9045 9.1862 122.2671 54.0370 42.2124 175.7598 33 I 5.0583 8.3977 123.0466 59.6677 40.7937 174.0990 34 N 5.5316 9.1979 124.0340 51.2371 42.5416 173.1471 35 L 5.1906 9.0085 123.6556 53.2644 44.8528 174.5907 36 E 5.3095 9.4464 127.3376 54.6423 32.7890 173.9580 37 Y 4.9693 8.9484 127.2468 56.5709 42.5937 175.0442 38 K 3.6931 9.4340 126.3702 57.5312 29.7668 175.6630 39 G 3.8708 8.3064 101.8540 45.5982 0.0000 173.1042 40 K 4.5598 8.0073 121.2403 54.2396 34.8421 174.6133 41 S 5.2692 8.8065 122.0592 56.7337 64.2170 173.2578 42 V 4.5970 8.7654 119.7393 59.1149 35.6237 174.2825 43 N 4.9237 8.5507 121.0361 53.3192 38.8129 175.4197 44 L 3.6875 9.0754 129.5866 56.7619 43.1269 177.2431 45 K 4.4292 6.9887 120.0988 55.4358 30.8066 176.0550 *47 I 4.1612 7.4808 122.2556 61.1877 40.4986 177.0062 48 M 4.1114 8.1211 118.9729 58.5928 31.8395 178.2171 49 G 3.5975 7.9617 104.0625 47.7516 0.0000 175.3733 50 V 3.7278 7.6733 120.3695 66.1001 31.4961 177.9057 51 M 4.0789 8.0717 117.1619 58.3483 31.6321 178.4301 52 S 4.3873 8.1628 114.4461 60.2137 62.9407 176.1145 53 L 4.1312 7.5278 122.7173 55.7901 42.1953 176.5263 54 G 3.7153 7.4877 102.6196 46.4042 0.0000 174.2004 55 V 3.0086 7.4699 119.8135 61.5168 31.9631 175.0482 56 G 4.4568 7.9691 116.3031 42.9894 0.0000 171.3094 57 Q 4.0455 8.3358 119.9751 57.7645 29.1457 176.8049 58 G 4.0254 9.2114 113.7281 45.1347 0.0000 173.9105 59 S 4.4780 7.7440 116.2283 58.4942 64.2940 172.6197 60 D 5.4357 8.8060 122.6094 52.9043 42.5485 175.7006 61 V 4.9711 8.9932 118.4224 59.9652 36.5975 174.5716 62 T 5.1962 8.7811 118.5112 61.9571 71.9903 173.0835 63 I 5.0810 9.1539 126.7999 59.8485 40.3559 174.6205 64 T 5.0580 8.8544 122.9612 61.6876 71.8518 173.1619 65 V 4.8350 9.0757 125.7603 61.1108 34.9391 173.8582 66 D 5.0437 9.8240 127.3947 53.1001 44.5289 175.0894 67 G 4.2075 9.1624 113.9753 44.6521 0.0000 172.1594 68 A 3.9560 8.4913 122.1968 55.2173 18.2179 178.6975 69 D 4.8869 7.9569 113.7742 53.2949 40.1689 178.0018 70 E 3.8142 8.2608 121.6764 60.5665 29.2309 178.6022 71 A 4.1182 7.8277 122.2907 54.2089 18.4963 179.0990 72 E 3.8835 8.0350 117.4870 59.2137 29.8145 179.0480 73 G 2.3467 7.7177 105.9405 47.4909 0.0000 175.3188 74 M 3.9713 8.0966 120.8615 58.1635 32.2677 178.0580 75 A 3.9492 7.7395 120.1925 55.2417 18.4804 179.5270 76 A 3.9944 7.9017 119.2079 55.2005 18.3628 179.8769 77 I 3.6103 7.8500 118.4105 64.5815 37.2099 178.7653 78 V 3.6030 7.9675 119.0667 65.9230 31.2716 177.6212 79 E 3.9098 8.1575 118.9484 59.6466 29.5371 178.9050 80 T 3.8525 8.1398 115.9333 66.7025 68.4941 176.5489 81 L 3.8857 8.0624 121.0738 57.7093 41.5482 179.5461 82 Q 3.9320 8.0817 119.6904 59.0793 28.9267 178.3185 83 K 4.1243 8.2631 118.4982 59.1754 32.6995 177.8564 84 E 4.4629 8.0852 117.9315 55.0481 29.6963 176.0058 85 G 3.9871 7.7464 106.7992 46.6405 0.0000 175.6058 86 L 4.1161 8.1477 121.9096 56.1757 42.1857 177.3939 87 A 4.7378 7.5811 123.9047 51.1140 19.2936 175.3564 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 8.30 4.79 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 2 E 9.25 4.70 0.00 1.90 1.76 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 2.19 2.30 0.00 3 K 8.61 4.94 0.00 1.70 1.59 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.43 7.81 4 K 9.05 4.39 0.00 1.72 1.43 0.00 1.23 0.00 0.00 1.33 0.00 0.00 2.43 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.50 0.21 7.81 5 E 8.42 4.97 0.00 1.93 1.72 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 2.35 2.33 0.00 6 F 9.46 5.03 0.00 2.92 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 7 H 8.71 5.28 0.00 3.28 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.86 4.18 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.88 0.00 0.00 9 V 8.70 4.48 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 0.74 0.00 0.00 0.99 0.00 0.00 10 A 7.97 4.06 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 11 E 8.97 3.91 0.00 1.93 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 2.31 0.00 12 T 7.91 4.17 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 1.20 0.00 0.00 13 G 7.60 3.70 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 0.00 0.00 0.00 14 I 7.81 4.07 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.80 0.00 0.00 15 H 7.84 4.68 0.00 3.30 3.14 0.00 5.97 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.52 3.67 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 17 R 8.65 3.85 0.00 1.88 1.92 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 18 P 0.00 4.19 0.00 2.16 2.06 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 19 A 7.69 3.91 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.75 3.78 4.34 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 0.00 0.00 0.00 1.23 0.00 0.00 21 L 8.26 3.98 0.00 1.88 1.69 0.91 0.45 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 22 L 8.05 3.92 0.00 1.89 1.71 0.82 0.68 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 23 V 7.90 3.83 2.21 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 1.19 0.00 0.00 1.02 0.00 0.00 24 Q 8.00 4.00 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 25 T 8.05 3.97 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 A 8.19 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.93 4.19 0.00 3.97 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 0.00 28 K 7.53 3.87 0.00 0.79 1.23 0.00 1.43 0.00 0.00 1.48 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.45 7.81 29 F 6.83 5.09 0.00 3.11 3.09 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 0.00 30 N 9.10 4.51 0.00 2.75 2.90 0.00 0.00 7.17 6.93 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 31 S 8.25 4.53 0.00 3.88 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 0.00 32 D 9.19 4.90 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.40 5.06 1.92 0.00 0.00 1.00 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 0.96 0.95 0.00 0.00 34 N 9.20 5.53 0.00 2.63 2.69 0.00 0.00 5.97 6.27 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 35 L 9.01 5.19 0.00 1.71 1.50 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.45 5.31 0.00 2.05 1.80 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 2.23 2.32 0.00 37 Y 8.95 4.97 0.00 2.99 2.77 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 38 K 9.43 3.69 0.00 1.27 1.52 0.00 1.65 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.92 0.21 7.81 39 G 8.31 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.01 4.56 0.00 1.81 1.81 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 41 S 8.81 5.27 0.00 3.92 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 42 V 8.77 4.60 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 0.68 0.00 0.00 0.95 0.00 0.00 43 N 8.55 4.92 0.00 2.82 2.71 0.00 0.00 6.52 6.66 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 44 L 9.08 3.69 0.00 1.83 1.67 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 K 6.99 4.43 0.00 1.64 1.77 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *47 I 7.48 4.16 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 1.50 0.91 0.00 0.00 48 M 8.12 4.11 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 49 G 7.96 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.67 3.73 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 1.00 0.00 0.00 0.92 0.00 0.00 51 M 8.07 4.08 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.93 0.00 52 S 8.16 4.39 0.00 3.94 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 53 L 7.53 4.13 0.00 1.91 1.74 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.49 3.72 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 0.00 0.00 0.00 55 V 7.47 3.01 1.77 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 0.60 0.00 0.00 0.35 0.00 0.00 56 G 7.97 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 0.00 0.00 0.00 57 Q 8.34 4.05 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 58 G 9.21 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 4.48 0.00 3.76 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 60 D 8.81 5.44 0.00 2.75 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 61 V 8.99 4.97 2.25 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 0.68 0.00 0.00 1.10 0.00 0.00 62 T 8.78 5.20 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 1.27 0.00 0.00 63 I 9.15 5.08 2.22 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.90 1.03 0.00 0.00 64 T 8.85 5.06 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 1.22 0.00 0.00 65 V 9.08 4.84 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 0.90 0.00 0.00 0.93 0.00 0.00 66 D 9.82 5.04 0.00 2.77 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 0.00 0.00 0.00 67 G 9.16 4.21 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 0.00 68 A 8.49 3.96 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 69 D 7.96 4.89 0.00 3.04 2.94 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 70 E 8.26 3.81 0.00 2.20 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 0.00 2.38 2.32 0.00 71 A 7.83 4.12 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 72 E 8.04 3.88 0.00 2.01 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 2.39 2.40 0.00 73 G 7.72 2.35 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 74 M 8.10 3.97 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 75 A 7.74 3.95 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 76 A 7.90 3.99 1.50 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 77 I 7.85 3.61 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.92 0.80 0.00 0.00 78 V 7.97 3.60 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 1.10 0.00 0.00 1.15 0.00 0.00 79 E 8.16 3.91 0.00 2.12 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 0.00 2.32 2.37 0.00 80 T 8.14 3.85 4.35 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 1.19 0.00 0.00 81 L 8.06 3.89 0.00 1.68 1.53 -0.28 0.90 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 82 Q 8.08 3.93 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 83 K 8.26 4.12 0.00 1.92 1.93 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.47 7.81 84 E 8.09 4.46 0.00 1.98 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 2.43 2.42 0.00 85 G 7.75 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 86 L 8.15 4.12 0.00 1.78 1.62 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.58 4.74 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 * Residues marked with a * may have inaccurate shift predictions.