NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6422 8.1476 118.3363 54.7396 33.8018 173.8984 2 V 3.7321 8.1946 118.8511 61.3495 32.6705 173.9441 3 K 5.0627 10.2097 124.1693 54.6052 37.1583 176.2457 4 I 4.9239 8.2954 121.0705 60.0965 39.8524 175.0581 5 R 4.9453 8.8197 124.4357 55.1761 33.1036 173.4885 6 L 5.2320 8.5171 117.6960 53.7775 43.6746 176.2289 7 A 4.9063 8.7452 123.5516 50.0455 21.9868 175.5919 8 R 4.2598 8.8872 122.9428 56.4499 30.1770 176.7666 9 F 4.6543 9.0517 120.6234 56.0246 41.6702 176.8918 10 G 4.4876 8.1722 107.4572 44.7729 0.0000 176.6031 11 S 4.4350 8.3717 124.5363 56.8467 66.7043 172.8437 12 K 3.9841 8.4133 122.7781 58.3058 31.9219 176.3239 13 H 4.1691 8.9221 121.3525 56.4540 27.1829 174.1871 14 N 5.0595 8.0959 117.7262 51.6071 38.8399 172.0762 15 P 4.4888 0.0000 0.0000 63.8638 32.9058 177.5728 16 H 4.5579 8.1720 117.9404 55.6342 32.8213 172.7323 17 Y 5.8938 9.1039 121.8479 56.1326 41.1743 174.7630 18 R 5.0286 8.6331 118.6663 54.4771 33.5709 175.3779 19 I 4.3296 8.3439 125.0289 61.1761 38.0310 175.2879 20 V 4.5441 9.2416 127.2075 60.8134 35.5593 174.5939 21 V 4.4639 8.1960 124.9246 61.4932 32.7302 174.2372 22 T 4.9239 8.5682 122.0177 59.9482 71.8702 172.1880 23 D 4.4776 8.6201 124.0100 53.9573 41.8110 176.7185 24 A 4.0247 8.3386 128.8777 55.6465 18.4367 179.0788 25 R 4.0911 8.6112 112.9833 57.7024 30.3736 177.0030 26 R 4.2508 7.6251 118.4012 54.8718 30.9795 175.8008 27 K 4.0855 8.4406 120.8737 56.5186 32.7074 178.5090 28 R 3.9627 8.5199 117.0242 59.3788 29.6633 177.2718 29 D 4.6586 8.0006 115.4272 53.8033 41.0607 177.3748 30 G 3.7510 7.2982 109.4767 44.7519 0.0000 173.3813 31 K 3.8319 8.4192 121.7704 56.3016 31.1819 176.8228 32 Y 4.6471 7.4296 124.6358 55.7422 39.6970 174.9872 33 I 4.2408 8.3541 119.7887 63.2420 38.5215 176.6928 34 E 4.9083 7.8108 118.3908 55.2503 32.7763 174.6576 35 K 4.3533 9.0002 128.4150 55.3448 33.4284 175.9494 36 I 4.6276 9.0631 118.9650 59.5589 40.0397 175.1279 37 G 4.3264 7.5264 108.8094 48.0963 0.0000 171.1763 38 Y 5.4095 7.2954 115.3004 56.6026 41.7703 173.0309 39 Y 5.3663 9.3417 121.4577 56.5689 43.1326 173.3031 40 D 4.6477 9.3475 126.6451 51.4414 41.6068 174.2271 41 P 4.5476 0.0000 0.0000 63.9388 31.5445 177.6002 42 R 4.2065 7.6984 113.6792 54.7879 30.7084 176.1424 43 K 3.7375 8.1707 118.3345 57.5201 29.8598 176.2928 44 T 4.1505 8.5645 107.8545 63.6109 69.2759 174.3343 45 T 4.8243 7.4467 110.1729 59.2910 71.8927 172.2659 46 P 4.5265 0.0000 0.0000 65.3695 31.8926 176.5424 47 D 4.7319 7.5516 119.5772 53.0708 40.1097 175.7180 48 W 4.9807 7.5500 114.5080 56.1151 30.2547 176.9199 49 L 4.6485 7.0575 117.1086 54.8336 44.1912 173.3096 50 K 4.4343 7.6423 127.5230 54.6898 36.1758 175.6559 51 V 4.4400 7.8115 124.5916 60.7634 34.0504 175.5662 52 D 4.6664 8.8252 129.0428 53.5522 37.6825 176.1336 53 V 3.6001 7.9074 124.3553 64.5915 31.4344 177.9315 54 E 3.8951 8.1494 119.0306 59.2670 29.5447 178.9780 55 R 4.0094 9.0384 118.1389 59.0969 30.1676 178.7046 56 A 4.1423 8.4959 121.0729 55.4474 18.3630 179.8970 57 R 3.8198 8.4545 116.8750 59.3642 29.6710 178.5089 58 Y 3.9371 7.8332 119.1582 60.5881 38.7216 178.1241 59 W 3.9437 8.1201 119.5761 59.8798 29.0957 178.5610 60 L 4.0574 8.0634 118.9852 57.7147 40.8342 179.5524 61 S 4.2367 7.7947 112.8813 60.1615 62.9533 175.2523 62 V 4.0808 6.5658 112.8719 60.7230 31.8972 175.7768 63 G 3.9157 7.9070 106.8228 44.8115 0.0000 174.5491 64 A 4.2680 8.3462 123.3258 52.4632 19.3154 177.0010 65 Q 4.5903 8.8326 124.7578 53.5177 30.6708 173.0873 66 P 5.5776 0.0000 0.0000 62.3054 32.5188 176.3960 67 T 4.0766 8.4177 118.2176 63.7627 69.8333 175.3036 68 D 4.4397 8.8288 122.2391 58.2071 41.0586 179.2589 69 T 4.0134 7.9544 115.2957 66.4068 68.3230 176.4727 70 A 3.8772 7.7243 122.2839 55.1043 18.5503 179.2826 71 R 3.9662 8.6660 118.1875 59.6818 30.1865 178.3298 72 R 3.8847 8.4271 118.7217 59.6623 29.7456 178.4632 73 L 3.8423 7.4545 116.6038 57.6879 41.9528 178.8891 74 L 4.0331 7.9647 118.9976 57.9019 41.5003 179.6106 75 R 4.1510 8.5849 118.7693 59.6622 29.9239 178.1714 76 Q 3.7399 7.8825 117.1391 57.9339 28.8964 176.6546 77 A 4.5400 7.5864 121.5425 51.6126 19.2974 176.1189 78 G 3.9903 8.8111 106.7943 48.0572 0.0000 177.2218 79 V 3.5088 7.8795 120.5979 64.4133 31.7711 176.2748 80 F 4.6458 7.7508 115.7932 57.3171 40.5380 174.3880 81 R 3.9470 7.2356 120.9899 56.8664 29.0859 175.5385 82 Q 4.3221 8.9764 123.0034 57.6323 29.7806 177.5453 83 E 3.4948 7.0129 118.5559 56.7971 26.1394 176.6477 *84 A 4.1104 7.9112 124.3464 52.1772 18.9361 176.9451 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 8.15 4.64 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 2 V 8.19 3.73 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 0.81 0.00 0.00 0.84 0.00 0.00 3 K 10.21 5.06 0.00 1.62 1.79 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.56 7.81 4 I 8.30 4.92 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 0.88 0.00 0.00 5 R 8.82 4.95 0.00 1.80 2.00 0.00 2.76 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 6 L 8.52 5.23 0.00 1.45 1.66 0.86 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.75 4.91 1.60 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 8 R 8.89 4.26 0.00 1.85 1.75 0.00 3.14 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.78 0.00 9 F 9.05 4.65 0.00 3.07 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 10 G 8.17 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.37 4.43 0.00 3.84 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 12 K 8.41 3.98 0.00 1.63 1.66 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.97 1.22 7.81 13 H 8.92 4.17 0.00 3.35 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.10 5.06 0.00 2.72 2.66 0.00 0.00 6.92 7.29 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 15 P 0.00 4.49 0.00 1.81 1.89 0.00 3.87 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 16 H 8.17 4.56 0.00 3.11 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.10 5.89 0.00 3.19 3.13 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 0.00 18 R 8.63 5.03 0.00 1.75 1.62 0.00 2.29 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.32 0.00 19 I 8.34 4.33 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.86 0.00 0.00 20 V 9.24 4.54 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 0.91 0.00 0.00 0.10 0.00 0.00 21 V 8.20 4.46 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 -0.44 0.00 0.00 0.30 0.00 0.00 22 T 8.57 4.92 4.32 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 1.23 0.00 0.00 23 D 8.62 4.48 0.00 2.77 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 24 A 8.34 4.02 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 25 R 8.61 4.09 0.00 1.90 2.00 0.00 3.17 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 26 R 7.63 4.25 0.00 1.80 1.85 0.00 3.32 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 27 K 8.44 4.09 0.00 1.98 1.74 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.45 7.81 28 R 8.52 3.96 0.00 1.97 2.09 0.00 3.12 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 29 D 8.00 4.66 0.00 2.59 2.50 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 30 G 7.30 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 3.83 0.00 1.67 1.75 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.29 7.81 32 Y 7.43 4.65 0.00 3.22 2.99 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 33 I 8.35 4.24 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.95 0.00 0.00 34 E 7.81 4.91 0.00 2.17 1.71 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 2.31 2.36 0.00 35 K 9.00 4.35 0.00 1.69 1.71 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.25 7.81 36 I 9.06 4.63 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.53 1.03 0.00 0.00 37 G 7.53 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.30 5.41 0.00 3.20 3.02 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 39 Y 9.34 5.37 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.35 4.65 0.00 2.92 2.79 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 41 P 0.00 4.55 0.00 1.99 2.16 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.73 0.00 42 R 7.70 4.21 0.00 1.71 1.84 0.00 3.26 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 43 K 8.17 3.74 0.00 1.36 0.81 0.00 1.16 0.00 0.00 1.14 0.00 0.00 2.29 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.56 4.15 4.26 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 1.19 0.00 0.00 45 T 7.45 4.82 4.33 0.00 0.00 0.00 0.00 0.00 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 46 P 0.00 4.53 0.00 2.28 2.33 0.00 3.84 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 2.07 2.02 0.00 47 D 7.55 4.73 0.00 2.79 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 48 W 7.55 4.98 0.00 3.81 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.06 4.65 0.00 1.46 0.87 0.88 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.64 4.43 0.00 1.31 0.74 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.06 1.16 7.81 51 V 7.81 4.44 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 0.73 0.00 0.00 0.79 0.00 0.00 52 D 8.83 4.67 0.00 2.74 2.57 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 0.00 0.00 0.00 0.00 53 V 7.91 3.60 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 0.88 0.00 0.00 0.86 0.00 0.00 54 E 8.15 3.90 0.00 2.08 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 0.00 2.35 2.45 0.00 55 R 9.04 4.01 0.00 2.11 2.16 0.00 3.38 0.00 0.00 3.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 56 A 8.50 4.14 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 57 R 8.45 3.82 0.00 2.06 1.97 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 58 Y 7.83 3.94 0.00 2.87 2.95 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 59 W 8.12 3.94 0.00 3.51 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 60 L 8.06 4.06 0.00 1.85 1.75 0.84 0.99 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 61 S 7.79 4.24 0.00 3.94 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 62 V 6.57 4.08 1.93 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 0.32 0.00 0.00 0.37 0.00 0.00 63 G 7.91 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 0.00 0.00 0.00 64 A 8.35 4.27 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 65 Q 8.83 4.59 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 66 P 0.00 5.58 0.00 2.26 2.10 0.00 3.48 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 67 T 8.42 4.08 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 1.21 0.00 0.00 68 D 8.83 4.44 0.00 2.66 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 69 T 7.95 4.01 4.16 0.00 0.00 0.00 0.00 0.00 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 70 A 7.72 3.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 3.97 0.00 1.88 2.11 0.00 3.01 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 72 R 8.43 3.88 0.00 1.83 2.07 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 73 L 7.45 3.84 0.00 1.68 1.50 0.33 0.36 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 74 L 7.96 4.03 0.00 1.96 1.54 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.58 4.15 0.00 2.19 2.19 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 76 Q 7.88 3.74 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.12 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 77 A 7.59 4.54 1.13 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 0.00 0.00 0.00 78 G 8.81 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 79 V 7.88 3.51 1.17 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 0.31 0.00 0.00 0.71 0.00 0.00 80 F 7.75 4.65 0.00 3.01 3.02 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 81 R 7.24 3.95 0.00 1.83 1.93 0.00 3.32 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 82 Q 8.98 4.32 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 83 E 7.01 3.49 0.00 2.01 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 2.32 2.32 0.00 *84 A 7.91 4.11 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 * Residues marked with a * may have inaccurate shift predictions.