NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5491 8.3644 120.5398 53.8993 43.0879 174.8694 8 Y 4.4860 8.0187 120.4054 55.7376 39.1127 172.8404 9 I 4.0761 8.7952 129.4777 58.4206 40.1344 173.3662 10 P 4.2627 0.0000 0.0000 62.7224 31.7821 177.0300 11 E 4.7449 8.2761 121.4047 53.6402 31.0643 175.9633 12 P 4.5824 0.0000 0.0000 61.7667 31.0746 180.0650 *14 D 4.2593 8.6208 120.3756 54.3153 40.7524 174.0828 15 L 4.6510 8.1452 125.5219 54.2266 42.3797 178.6568 16 S 4.1155 8.4025 115.7330 60.9636 62.7086 175.3173 17 L 4.5378 7.7120 117.8773 54.1343 41.6856 176.0796 18 V 3.7943 7.8600 120.0585 62.3186 32.0141 174.8099 19 D 4.7799 8.5876 126.3660 52.6113 42.0873 175.2696 20 L 4.7426 8.1229 126.2514 52.0184 44.1300 174.7185 21 P 4.3418 0.0000 0.0000 62.7544 32.1086 177.3206 22 E 3.9454 8.9116 122.7145 59.4123 29.4101 179.2397 23 S 4.0827 8.1267 112.7907 61.0519 62.9005 175.7171 24 L 4.1988 7.7709 123.8943 57.6807 42.1018 178.4133 25 I 3.6620 7.7156 119.2444 64.5582 36.8354 178.0951 26 Q 4.0149 8.1865 117.7606 58.3145 28.8655 177.3620 27 L 4.5322 7.9892 116.5599 54.5157 42.5051 178.2783 28 S 4.0659 8.1612 117.5804 62.0844 62.7470 176.7527 29 E 4.0328 8.1319 120.3883 59.2079 29.2447 179.4838 30 R 3.8146 7.8279 117.6926 59.2321 30.2114 178.9074 31 I 3.5707 7.6582 119.1901 64.4360 37.1302 178.2056 32 A 3.9242 8.2426 121.9050 55.1618 18.0243 179.3023 33 E 2.9132 7.5902 117.4700 59.2286 29.7131 178.5816 34 N 4.2338 7.9477 117.0456 56.7093 38.9369 176.9532 35 V 3.6449 7.9588 119.7962 66.1005 31.5533 177.5047 36 H 4.3083 8.4551 118.2773 59.2782 29.6517 177.1468 37 E 4.0029 8.4810 120.6557 59.2890 29.3269 179.3664 38 V 3.5516 7.8536 118.2173 65.8258 31.6586 177.5299 39 W 4.1964 8.1924 127.7887 60.8222 30.4069 177.7898 40 A 3.3319 8.3548 120.3605 54.4167 17.7620 179.6281 41 K 3.7778 8.2457 118.3800 59.4243 32.1668 178.8457 42 A 3.8838 7.8312 120.9869 55.2158 18.3692 179.6895 43 R 3.4634 7.2582 116.2495 59.5412 30.0227 179.4352 44 I 4.1469 7.5585 120.6900 63.9655 36.7836 178.2842 45 D 4.4736 8.0880 119.1332 56.7142 40.5909 177.2419 46 E 4.5693 7.6701 117.7728 56.2264 30.1040 177.5215 47 G 3.9624 7.8504 107.5212 44.7861 0.0000 174.6528 48 W 4.6196 8.1787 120.2349 57.0075 30.5662 175.2563 49 T 4.8732 8.8461 111.9801 59.9197 72.6014 172.0787 50 Y 4.7881 8.7582 123.2122 57.7763 39.4906 174.8706 51 G 4.0083 7.3613 111.9157 44.4496 0.0000 173.6273 52 E 4.0277 8.7162 120.9938 57.5914 30.1502 176.6870 53 K 4.6074 7.4735 120.0899 54.0767 34.7673 175.6152 54 R 4.3453 8.5347 127.2676 56.7092 31.2169 175.7628 55 D 4.4190 9.1663 125.9608 53.7903 43.0592 175.4926 56 D 4.5326 8.8949 127.2775 57.1253 41.4332 178.6607 57 I 3.7139 7.7504 119.3005 64.5920 37.0657 176.7306 58 H 4.3405 8.1599 113.2433 54.8086 29.5560 175.2361 59 K 2.0000 7.0097 118.5237 56.8298 28.9901 174.4454 60 K 5.1072 8.3117 118.5135 54.7692 34.9543 175.8262 61 H 5.1041 9.0575 122.8414 53.8373 32.5809 172.2308 62 P 4.5695 0.0000 0.0000 64.5193 31.4633 176.6141 63 C 4.5901 8.4220 115.2421 60.2520 28.9937 174.1353 64 L 4.6614 7.8886 121.9491 54.1727 39.6421 175.6929 65 V 4.6551 7.2966 111.4644 58.3895 36.4045 174.3507 66 P 4.4985 0.0000 0.0000 62.8433 32.0406 176.9466 67 Y 3.9068 9.0578 122.5513 61.0612 38.6372 178.5383 68 D 4.4108 8.2697 117.3391 56.8179 40.9796 177.0117 69 E 4.3100 7.9636 116.9701 56.5261 30.2056 176.6849 70 L 3.9732 7.1561 119.2254 54.1834 42.2863 176.0831 71 P 4.3714 0.0000 0.0000 62.4962 33.3535 177.4672 72 E 3.9330 8.6565 120.6904 59.3053 29.6242 179.0797 73 E 4.0535 8.0840 117.3444 59.1891 29.8232 178.8515 74 E 3.9790 8.0403 119.3200 59.1826 29.5327 179.1783 75 K 4.0319 7.8411 118.3716 59.0816 32.0450 179.0320 76 E 3.9130 8.2980 119.7644 59.4102 29.5867 178.1595 77 Y 3.9199 8.0922 119.4112 60.9422 38.8759 177.7703 78 D 4.4286 8.3792 119.6667 57.5533 40.7027 179.2461 79 R 3.9179 8.0682 117.6030 59.3388 30.2063 178.4812 80 N 4.4047 7.9305 115.0545 56.4411 38.7892 177.3470 81 T 3.8397 7.7671 116.8640 66.4590 68.6077 176.5204 82 A 3.7250 7.5603 120.2210 53.5697 18.7383 178.6397 *84 N 4.5460 8.0097 117.7818 54.8093 40.6262 176.9787 85 T 3.9493 7.8744 112.9841 66.8374 68.6959 176.0684 86 I 3.8687 7.7025 121.7747 64.2323 37.3296 178.8925 87 K 4.1148 7.5707 118.2804 56.5182 31.2421 179.2027 *89 V 3.9837 7.9448 120.5702 62.8712 33.2502 177.2960 90 K 4.5251 7.7281 120.2779 58.6207 32.2720 178.7571 91 K 3.9960 8.3000 119.6314 59.2353 32.1538 177.2659 92 L 4.3199 7.8634 115.9987 55.1239 41.5985 177.0188 93 G 3.8697 8.1792 107.3154 45.4575 0.0000 173.3822 94 F 4.7638 8.0515 117.8891 55.2339 41.0505 175.4347 95 R 4.5011 8.4342 123.2908 55.4112 31.0743 176.1129 96 I 4.6393 8.1485 121.6277 59.5810 40.1666 174.8216 97 E 4.7157 8.4591 123.5027 54.2406 33.5169 175.0263 98 K 4.0249 8.5030 123.8161 56.1172 32.9813 176.3310 99 E 4.1112 8.7341 125.1249 56.6028 29.5115 176.2876 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 7 D 8.36 4.55 0.00 2.71 2.85 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 8 Y 8.02 4.49 0.00 2.88 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 9 I 8.80 4.08 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.81 0.00 0.00 10 P 0.00 4.26 0.00 1.92 1.91 0.00 3.33 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 11 E 8.28 4.74 0.00 1.90 1.83 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 2.17 2.38 0.00 12 P 0.00 4.58 0.00 2.17 1.45 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 *14 D 8.62 4.26 0.00 2.66 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 15 L 8.15 4.65 0.00 1.71 1.63 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.40 4.12 0.00 3.97 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 17 L 7.71 4.54 0.00 1.62 1.71 0.92 0.88 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 18 V 7.86 3.79 2.16 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 0.73 0.00 0.00 0.94 0.00 0.00 19 D 8.59 4.78 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.74 0.00 1.65 1.55 0.91 1.11 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 21 P 0.00 4.34 0.00 2.17 1.98 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 22 E 8.91 3.95 0.00 2.03 1.94 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 2.37 2.37 0.00 23 S 8.13 4.08 0.00 4.05 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 24 L 7.77 4.20 0.00 1.79 1.85 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.72 3.66 1.99 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 1.63 0.59 0.90 0.00 0.00 26 Q 8.19 4.01 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 27 L 7.99 4.53 0.00 1.80 1.64 0.94 1.17 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 28 S 8.16 4.07 0.00 3.97 3.94 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 29 E 8.13 4.03 0.00 1.98 2.02 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 2.45 2.39 0.00 30 R 7.83 3.81 0.00 1.92 1.92 0.00 3.27 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 31 I 7.66 3.57 1.82 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 1.42 0.71 0.87 0.00 0.00 32 A 8.24 3.92 1.34 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 0.00 0.00 0.00 33 E 7.59 2.91 0.00 1.53 1.78 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 2.14 1.98 0.00 34 N 7.95 4.23 0.00 2.84 2.86 0.00 0.00 6.94 7.73 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 35 V 7.96 3.64 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 0.97 0.00 0.00 0.96 0.00 0.00 36 H 8.46 4.31 0.00 3.50 3.66 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.48 4.00 0.00 2.21 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 2.63 2.49 0.00 38 V 7.85 3.55 2.27 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 1.02 0.00 0.00 0.99 0.00 0.00 39 W 8.19 4.20 0.00 3.42 3.34 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 0.00 40 A 8.35 3.33 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 41 K 8.25 3.78 0.00 1.91 1.91 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.43 7.81 42 A 7.83 3.88 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 43 R 7.26 3.46 0.00 1.01 1.26 0.00 2.21 0.00 0.00 2.52 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 44 I 7.56 4.15 1.89 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 1.72 2.17 0.92 0.00 0.00 45 D 8.09 4.47 0.00 2.84 2.72 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 46 E 7.67 4.57 0.00 2.21 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 0.00 2.34 2.51 0.00 47 G 7.85 3.96 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 0.00 0.00 0.00 48 W 8.18 4.62 0.00 3.22 3.16 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 0.00 49 T 8.85 4.87 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 1.25 0.00 0.00 50 Y 8.76 4.79 0.00 3.30 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 51 G 7.36 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 52 E 8.72 4.03 0.00 2.13 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 0.00 2.26 2.28 0.00 53 K 7.47 4.61 0.00 1.72 1.65 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.37 7.81 54 R 8.53 4.35 0.00 1.80 1.81 0.00 3.28 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 55 D 9.17 4.42 0.00 2.72 2.47 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 56 D 8.89 4.53 0.00 2.74 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 57 I 7.75 3.71 1.86 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 1.22 0.41 0.66 0.00 0.00 58 H 8.16 4.34 0.00 3.05 3.22 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.01 2.00 0.00 1.26 0.74 0.00 1.25 0.00 0.00 1.30 0.00 0.00 2.66 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.83 7.81 60 K 8.31 5.11 0.00 1.75 1.84 0.00 1.46 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.30 7.81 61 H 9.06 5.10 0.00 3.43 3.28 0.00 5.58 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.57 0.00 2.30 2.36 0.00 3.29 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 63 C 8.42 4.59 0.00 3.09 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 64 L 7.89 4.66 0.00 1.96 1.79 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.30 4.66 2.08 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 0.72 0.00 0.00 1.00 0.00 0.00 66 P 0.00 4.50 0.00 2.21 2.04 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 67 Y 9.06 3.91 0.00 3.07 3.03 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 68 D 8.27 4.41 0.00 2.73 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 69 E 7.96 4.31 0.00 2.05 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 2.26 2.25 0.00 70 L 7.16 3.97 0.00 1.51 1.33 0.88 0.71 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 71 P 0.00 4.37 0.00 2.11 1.95 0.00 3.54 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 2.09 2.13 0.00 72 E 8.66 3.93 0.00 2.04 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 2.36 2.42 0.00 73 E 8.08 4.05 0.00 2.24 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 0.00 2.33 2.37 0.00 74 E 8.04 3.98 0.00 2.08 1.94 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 2.33 2.26 0.00 75 K 7.84 4.03 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.38 0.00 0.00 2.58 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.46 1.25 7.81 76 E 8.30 3.91 0.00 2.31 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 0.00 2.32 2.33 0.00 77 Y 8.09 3.92 0.00 3.22 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 78 D 8.38 4.43 0.00 3.09 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 79 R 8.07 3.92 0.00 1.79 1.99 0.00 3.20 0.00 0.00 3.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 80 N 7.93 4.40 0.00 2.73 2.73 0.00 0.00 7.12 6.97 0.00 0.00 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 T 7.77 3.84 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 1.14 0.00 0.00 82 A 7.56 3.73 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 *84 N 8.01 4.55 0.00 2.95 2.86 0.00 0.00 7.04 7.05 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 85 T 7.87 3.95 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 1.18 0.00 0.00 86 I 7.70 3.87 1.85 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 1.26 0.76 0.89 0.00 0.00 87 K 7.57 4.11 0.00 2.03 1.81 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.36 7.81 *89 V 7.94 3.98 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 0.80 0.00 0.00 0.85 0.00 0.00 90 K 7.73 4.53 0.00 1.83 1.98 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.37 7.81 91 K 8.30 4.00 0.00 1.83 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.48 7.81 92 L 7.86 4.32 0.00 2.05 1.90 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.18 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 94 F 8.05 4.76 0.00 3.21 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 95 R 8.43 4.50 0.00 1.83 1.87 0.00 3.15 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 96 I 8.15 4.64 1.89 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 1.44 0.66 0.91 0.00 0.00 97 E 8.46 4.72 0.00 1.90 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 2.22 2.30 0.00 98 K 8.50 4.02 0.00 1.69 1.71 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.49 7.81 99 E 8.73 4.11 0.00 1.95 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 2.29 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.