NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2643 8.4104 110.3064 61.5064 68.7731 172.5619 4 A 4.1937 7.6755 129.0481 52.9110 23.4322 175.2687 5 Y 4.8348 8.5400 112.9275 57.7783 39.6911 174.8815 6 D 4.5145 8.0161 121.1423 57.2548 41.1989 178.6074 7 V 3.6769 7.9337 118.8430 66.0005 32.4586 176.1804 8 I 4.1943 7.6474 119.9605 61.1043 37.3530 174.0684 9 L 4.7807 8.9368 124.8649 55.6819 43.7646 176.5072 10 A 5.0280 7.9303 117.3901 49.8054 23.4682 172.4633 11 P 5.2203 0.0000 0.0000 62.1712 32.8854 176.4620 12 V 3.9713 7.8879 121.7069 60.5175 32.5230 175.5865 13 L 4.4602 8.2507 126.0461 53.4947 42.6558 175.8013 14 S 4.3480 7.0608 115.2892 55.9809 65.2419 176.8743 15 E 3.7940 8.5007 122.6463 59.9675 28.9531 179.9404 16 K 4.0539 7.1699 117.5550 59.0281 32.3566 178.6136 17 A 4.0109 7.8865 121.6299 55.2528 18.3064 178.9255 18 Y 2.8575 7.0586 114.3665 61.5941 37.6839 179.3235 19 A 3.9429 7.8699 120.4812 54.5936 18.6752 178.3995 20 G 4.0105 8.2345 104.6996 45.8204 0.0000 175.7004 21 F 4.2251 9.0641 119.3442 60.8748 39.0865 176.4565 22 A 4.1436 8.2075 121.6167 55.2569 18.5761 177.1463 23 E 4.4248 7.5709 118.1383 55.1263 31.0368 175.2495 24 G 4.0678 8.6675 106.0997 46.7228 0.0000 172.4948 25 K 4.3664 7.2847 124.7934 53.5704 36.0478 171.3685 26 Y 4.9149 7.5234 117.6174 56.0657 41.5069 174.0399 27 T 4.3931 8.4270 112.1791 60.4558 70.0819 173.1462 28 F 5.0786 8.1892 123.1605 54.9667 43.8673 174.3653 29 W 4.5585 8.6470 121.0989 57.4371 29.7192 176.3626 30 V 4.8450 7.8468 126.0358 60.8713 33.4687 174.1745 31 H 4.5435 8.7110 121.0837 55.1425 29.9426 173.3853 32 P 4.4236 0.0000 0.0000 65.1329 31.7429 175.6099 33 K 4.7042 7.6863 116.4975 56.7781 35.2013 175.3872 34 A 3.8391 8.9326 121.1679 53.5885 16.6738 178.3714 35 T 3.9007 8.8132 112.9387 66.0590 67.5642 174.8799 36 K 4.6655 7.6920 117.2174 54.5068 33.5899 176.3698 37 T 3.8639 8.6710 118.8073 65.5879 69.0305 173.7373 38 E 4.9080 8.2075 121.8826 56.3831 29.9698 176.8605 39 I 4.0858 7.6818 111.4461 60.7398 39.0580 177.0098 40 K 3.5106 7.6782 117.5605 61.3204 32.3426 176.9465 41 N 4.9439 8.3673 118.3561 52.4222 35.9914 175.7873 42 A 4.4978 7.6827 120.4890 54.8359 23.5870 179.1742 43 V 3.5651 8.4609 116.2148 65.7565 32.2551 178.0664 44 E 4.0283 8.4810 118.3650 59.3343 29.5299 177.8289 45 T 4.4958 7.0591 106.4708 61.0171 69.3121 175.0456 46 A 4.4300 7.5888 122.3920 53.5443 23.8114 177.6689 47 F 4.9901 7.7681 112.6055 57.2892 40.6172 176.4615 48 K 4.0515 7.7623 116.6508 57.5344 28.6133 172.3780 49 V 4.6406 7.5886 113.4827 59.4304 36.8523 175.7813 50 K 4.6214 8.3645 121.3208 54.8158 34.6983 175.3371 51 V 4.0903 8.4421 128.8699 62.8906 31.3048 175.9805 52 V 4.0614 8.5773 127.2537 64.0815 32.6669 175.3958 53 K 4.6363 7.4281 118.7653 55.2051 35.5315 174.4954 54 V 4.9730 8.3397 125.2961 61.3168 34.0540 174.0586 55 N 5.3496 9.0122 124.4929 51.7471 42.1991 173.4615 56 T 4.9613 8.1084 110.0768 60.6714 72.5363 172.6272 57 L 4.4821 8.8060 119.5072 54.6172 46.8536 174.3847 58 H 5.4646 8.7292 118.8524 56.0953 31.0297 175.1304 59 V 4.5643 9.1805 114.3670 62.7184 36.4731 177.1946 60 R 3.2271 7.9752 124.3352 50.1881 33.8986 174.8357 61 G 4.0475 7.0577 103.0883 45.7274 0.0000 173.5719 62 K 4.2369 8.6639 121.3464 56.3204 32.6931 177.0355 63 K 4.5825 8.5105 124.9313 54.7525 35.4890 174.8199 64 K 4.6983 8.2523 120.5561 54.6420 35.3295 176.2108 65 R 4.9639 8.9293 131.2201 57.8946 31.1647 173.2637 66 L 4.2234 10.3790 126.1950 54.5888 42.5068 173.5915 67 G 4.0166 6.4350 109.4119 44.9571 0.0000 176.2084 68 R 4.9135 8.8811 122.1771 57.1019 31.7283 168.3413 69 Y 3.4732 8.4953 122.7695 57.6361 38.5288 169.2201 70 L 4.5987 8.2105 124.8816 54.5754 45.5238 176.6278 71 G 3.6447 8.2030 109.7651 45.8900 0.0000 174.6467 72 K 4.4221 8.1511 126.9790 56.8108 32.6823 177.6470 73 R 4.8735 7.9672 114.5385 57.9344 30.7371 173.8815 74 P 4.3680 0.0000 0.0000 60.5991 32.5685 176.7684 75 D 5.0842 8.9728 123.8664 54.4356 43.0233 174.5774 76 R 4.7307 8.7489 116.0127 55.7073 32.9673 175.4589 77 K 4.9807 7.3124 117.7803 56.2196 37.6361 173.1608 78 K 4.6321 7.6835 117.8116 55.6624 34.3220 175.9360 79 A 4.5959 8.5077 126.4635 51.9154 19.0929 177.0640 80 I 3.9270 9.0334 122.7145 61.0974 39.4953 172.6435 81 V 3.8677 7.8802 128.4185 61.7711 32.4773 171.0141 82 Q 3.9956 8.7408 128.3168 55.9268 29.3772 176.6975 83 V 3.5232 8.0651 113.9286 64.9722 31.5528 174.5099 84 A 4.1709 9.0536 128.1364 52.3055 16.1565 177.6258 85 P 4.3793 0.0000 0.0000 65.1813 31.4690 177.8064 86 G 3.9959 7.3394 109.2085 45.6111 0.0000 173.3306 87 Q 4.4484 7.3500 121.1537 55.1571 32.0165 171.9465 88 K 3.7822 9.0641 126.5012 57.1554 32.2021 177.2595 89 I 3.3113 8.5567 122.3161 61.3401 34.8388 173.9638 90 E 3.7319 7.0149 121.1970 58.4878 29.8182 177.9034 91 A 3.9889 7.9626 126.5595 54.3137 19.0369 177.4742 92 L 4.1300 7.4589 116.2918 55.1328 41.5107 176.8121 93 E 3.8980 8.4496 124.1607 55.3838 29.8976 173.6133 94 G 3.5627 8.2810 111.9124 46.5549 0.0000 173.5945 *95 L 4.1219 8.6601 123.1033 54.3705 41.6291 178.9897 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 T 8.41 4.26 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 1.15 0.00 0.00 4 A 7.68 4.19 1.14 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 0.00 0.00 5 Y 8.54 4.83 0.00 2.85 2.83 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 6 D 8.02 4.51 0.00 2.67 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 7 V 7.93 3.68 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 0.98 0.00 0.00 0.92 0.00 0.00 8 I 7.65 4.19 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.33 0.54 0.00 0.00 9 L 8.94 4.78 0.00 2.00 1.78 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.93 5.03 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 11 P 0.00 5.22 0.00 2.14 2.29 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 12 V 7.89 3.97 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 0.48 0.00 0.00 0.20 0.00 0.00 13 L 8.25 4.46 0.00 1.71 1.81 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.06 4.35 0.00 3.80 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 15 E 8.50 3.79 0.00 2.00 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 2.40 2.50 0.00 16 K 7.17 4.05 0.00 1.63 1.72 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 17 A 7.89 4.01 1.01 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 0.00 0.00 18 Y 7.06 2.86 0.00 2.83 2.42 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 19 A 7.87 3.94 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 20 G 8.23 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 0.00 0.00 0.00 0.00 21 F 9.06 4.23 0.00 2.85 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 22 A 8.21 4.14 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 23 E 7.57 4.42 0.00 1.94 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 2.29 2.30 0.00 24 G 8.67 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 25 K 7.28 4.37 0.00 1.72 2.15 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.96 1.14 7.81 26 Y 7.52 4.91 0.00 2.99 2.90 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 27 T 8.43 4.39 4.12 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 0.00 0.00 0.00 1.10 0.00 0.00 28 F 8.19 5.08 0.00 3.00 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 29 W 8.65 4.56 0.00 3.45 3.15 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 30 V 7.85 4.85 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 0.98 0.00 0.00 1.10 0.00 0.00 31 H 8.71 4.54 0.00 3.22 3.23 0.00 6.02 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.42 0.00 1.97 2.12 0.00 3.01 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 33 K 7.69 4.70 0.00 1.96 1.99 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.47 7.81 34 A 8.93 3.84 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 35 T 8.81 3.90 4.50 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 1.37 0.00 0.00 36 K 7.69 4.67 0.00 2.13 1.99 0.00 1.33 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.41 1.59 7.81 37 T 8.67 3.86 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 38 E 8.21 4.91 0.00 1.92 1.95 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 2.29 2.38 0.00 39 I 7.68 4.09 1.85 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 1.31 0.87 1.04 0.00 0.00 40 K 7.68 3.51 0.00 1.98 1.66 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 41 N 8.37 4.94 0.00 2.84 2.87 0.00 0.00 5.67 7.26 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 42 A 7.68 4.50 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 43 V 8.46 3.57 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 1.07 0.00 0.00 0.65 0.00 0.00 44 E 8.48 4.03 0.00 2.46 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 0.00 2.28 2.24 0.00 45 T 7.06 4.50 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 46 A 7.59 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.77 4.99 0.00 3.13 2.88 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 0.00 0.00 0.00 48 K 7.76 4.05 0.00 1.86 2.01 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 49 V 7.59 4.64 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 0.72 0.00 0.00 1.05 0.00 0.00 50 K 8.36 4.62 0.00 1.79 1.64 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.40 7.81 51 V 8.44 4.09 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 0.80 0.00 0.00 0.95 0.00 0.00 52 V 8.58 4.06 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 0.84 0.00 0.00 0.97 0.00 0.00 53 K 7.43 4.64 0.00 1.84 1.57 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.34 4.97 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 0.90 0.00 0.00 0.99 0.00 0.00 55 N 9.01 5.35 0.00 2.69 2.65 0.00 0.00 6.16 7.21 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 56 T 8.11 4.96 4.39 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 1.23 0.00 0.00 57 L 8.81 4.48 0.00 1.66 1.58 1.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.73 5.46 0.00 3.07 3.38 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.18 4.56 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 0.82 0.00 0.00 1.10 0.00 0.00 60 R 7.98 3.23 0.00 2.05 2.01 0.00 3.30 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 61 G 7.06 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 62 K 8.66 4.24 0.00 1.50 1.61 0.00 1.52 0.00 0.00 1.30 0.00 0.00 2.16 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.92 1.25 7.81 63 K 8.51 4.58 0.00 1.68 1.73 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.39 7.81 64 K 8.25 4.70 0.00 1.68 1.59 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.42 7.81 65 R 8.93 4.96 0.00 1.84 1.85 0.00 3.44 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.00 66 L 10.38 4.22 0.00 1.75 2.04 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 G 6.44 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 68 R 8.88 4.91 0.00 1.72 1.88 0.00 2.72 0.00 0.00 3.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.69 0.00 69 Y 8.50 3.47 0.00 3.11 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 70 L 8.21 4.60 0.00 1.66 1.64 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.20 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.42 0.00 1.82 1.65 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.37 7.81 73 R 7.97 4.87 0.00 1.78 1.90 0.00 3.14 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 74 P 0.00 4.37 0.00 2.00 1.84 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 75 D 8.97 5.08 0.00 2.93 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 76 R 8.75 4.73 0.00 1.75 2.30 0.00 2.68 0.00 0.00 2.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 77 K 7.31 4.98 0.00 1.83 2.09 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 0.96 7.81 78 K 7.68 4.63 0.00 1.88 1.83 0.00 1.23 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.37 7.81 79 A 8.51 4.60 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 80 I 9.03 3.93 1.87 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 1.10 1.75 0.93 0.00 0.00 81 V 7.88 3.87 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 0.77 0.00 0.00 0.93 0.00 0.00 82 Q 8.74 4.00 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 83 V 8.07 3.52 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 0.74 0.00 0.00 0.94 0.00 0.00 84 A 9.05 4.17 1.46 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 85 P 0.00 4.38 0.00 2.06 2.14 0.00 4.06 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 2.10 2.10 0.00 86 G 7.34 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 87 Q 7.35 4.45 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 5.86 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 88 K 9.06 3.78 0.00 1.92 1.72 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 89 I 8.56 3.31 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.23 0.86 0.00 0.00 90 E 7.01 3.73 0.00 1.96 1.82 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 2.48 2.24 0.00 91 A 7.96 3.99 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 92 L 7.46 4.13 0.00 1.78 1.63 0.95 0.92 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 93 E 8.45 3.90 0.00 2.06 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 2.20 2.17 0.00 94 G 8.28 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 L 8.66 4.12 0.00 1.42 1.50 0.92 0.70 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 * Residues marked with a * may have inaccurate shift predictions.