NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6410 8.4449 116.3501 55.3130 28.6832 172.1445 *2 E 4.1238 8.1703 125.2003 55.8941 30.6523 176.2316 3 K 4.2726 8.4704 120.0781 57.2734 32.8109 176.4178 4 R 4.7262 8.9184 121.4582 54.2445 34.3451 174.8194 5 F 4.9351 8.5719 119.3145 57.4516 40.6199 174.4699 6 Y 5.2308 9.2006 119.4896 56.3874 42.5521 174.1617 7 I 5.0062 9.3783 123.5331 59.6857 40.0860 174.6190 8 L 5.4014 9.1471 126.5817 53.0607 45.1472 175.3703 9 T 5.0472 8.9127 114.0934 59.9329 71.3653 173.0544 10 I 4.8604 8.8049 127.1402 59.2566 40.4418 174.5215 11 V 4.6185 8.9236 127.3010 61.1452 33.4739 174.2494 12 V 4.7407 8.4836 128.5652 60.8559 33.8243 174.9498 13 E 4.1922 8.8411 127.6410 55.7578 30.4521 176.8201 14 D 4.6603 8.7858 126.6697 54.4804 41.6259 176.4966 15 R 4.3684 7.9859 114.8657 54.5823 31.0121 177.0484 16 E 3.9385 8.7011 116.2283 59.5472 29.3600 178.7814 17 K 3.8275 8.0826 120.7340 58.7448 32.3062 178.1471 18 A 4.1299 8.0375 120.2555 55.6043 18.3279 178.8342 19 Y 4.4635 7.9120 117.5345 60.7766 38.7725 178.0343 20 R 3.7905 8.2673 119.7954 59.6149 30.2120 178.5735 21 Q 3.9833 8.3285 117.9226 58.8758 28.6455 178.8266 22 V 3.6213 7.8534 119.2546 66.2608 31.6049 177.8274 23 N 4.3428 8.3477 116.1076 56.3667 38.3079 177.2886 24 E 3.9927 8.4499 120.1748 59.1327 29.6537 179.1200 25 L 4.0693 7.9799 120.3396 58.4272 42.0475 179.1478 26 L 4.1515 8.0171 117.5546 57.8263 41.7630 178.6542 27 H 4.3095 8.4627 118.3783 59.5422 29.6032 176.9632 28 N 4.2761 8.0869 116.7538 55.6965 38.7144 176.3931 29 F 4.6436 8.0399 117.4286 57.4369 39.7022 178.0856 30 S 4.3329 7.9346 117.1589 60.9598 62.4949 175.4437 31 E 3.8485 8.1973 122.8473 59.1604 29.4759 177.1469 32 D 4.8031 7.7946 114.7183 53.9277 41.1972 175.5589 33 I 4.5194 7.5669 121.7534 60.8684 37.5148 175.6949 34 L 4.5988 8.9787 125.5727 55.4808 43.0726 176.7578 35 L 4.5782 7.5730 119.6747 53.9019 45.6281 173.6905 36 R 5.1601 8.6676 125.5155 54.6781 33.2541 173.9986 37 V 4.5176 9.3265 126.3736 61.0450 34.5746 174.0771 38 G 4.4442 8.9794 114.9226 44.6243 0.0000 171.7947 39 Y 4.7495 9.1641 126.7915 54.9367 41.3689 172.6374 40 P 4.3151 0.0000 0.0000 62.4753 32.3756 177.4235 41 V 4.0996 7.9750 123.4673 60.8865 31.3480 175.9388 42 R 3.9047 7.8612 123.8837 58.1836 30.6782 178.5765 43 E 3.9176 8.2765 117.9333 58.5967 29.5129 177.0669 44 E 4.4664 8.2440 115.2246 55.0858 30.8163 175.6575 45 N 3.8846 7.6898 115.7297 54.0043 36.3554 172.8319 *47 A 4.2424 7.2923 119.5747 51.6946 21.1254 176.3848 48 I 4.7122 8.4983 121.9065 59.5706 40.1146 174.9226 49 I 4.9858 8.5443 126.6263 59.5407 40.8809 174.2234 50 F 5.4856 9.3198 125.8374 55.8046 41.5716 174.7646 51 L 5.4191 9.3140 122.5593 52.9754 45.9764 175.4529 52 V 4.9332 8.5747 122.2999 61.2197 33.9886 174.3949 53 L 5.3068 9.1787 127.0547 52.7683 45.8067 175.5184 54 K 4.5355 8.3633 122.8930 55.4366 33.9604 174.6911 55 T 4.6225 8.9500 122.4968 61.7266 71.6830 171.3062 56 D 5.2709 8.3998 121.9793 51.9622 42.4805 177.3111 57 N 4.2773 8.8014 114.8679 56.6742 38.4808 177.0429 58 D 4.4136 8.1736 119.7464 57.8503 40.9058 179.1947 59 T 4.0171 7.9403 115.3280 66.6634 68.5701 176.8528 60 I 3.5278 7.5715 120.6639 63.9195 37.8405 178.0862 61 G 3.4956 7.8801 105.8864 47.6524 0.0000 175.4862 62 A 4.0279 7.9111 123.3636 54.7073 18.3556 179.5339 63 L 3.0905 7.5997 118.6365 58.1401 42.1333 179.1793 64 S 4.1046 8.0776 115.4613 61.6096 62.5510 176.9919 65 G 3.6151 7.8346 106.9262 47.7507 0.0000 175.6487 66 K 4.1485 7.8669 120.5410 59.1229 32.1508 179.3081 67 L 4.0555 8.1096 119.6978 57.9583 41.4044 179.7790 68 G 3.7174 7.8715 103.2337 46.6262 0.0000 174.5871 69 Q 4.4641 7.6685 118.6357 54.9317 28.9300 175.1799 70 I 4.2297 7.2932 123.2447 59.3335 38.2108 175.2668 71 S 4.2068 8.6062 120.6816 59.9322 62.7018 173.9283 72 G 3.8628 9.0990 114.9864 45.8695 0.0000 172.0344 73 V 4.8128 7.4386 117.6130 60.7241 34.1315 174.9073 74 R 4.8663 8.9714 126.9690 54.3094 32.8534 175.3535 75 V 4.9564 8.3207 121.7720 59.7427 34.8626 174.6264 76 K 4.6024 9.2031 124.0414 55.0109 35.1086 174.6253 77 T 5.1365 8.6611 123.6117 61.9198 70.9896 174.0462 78 V 4.7524 9.1061 119.3680 58.8274 36.0555 173.3513 79 P 4.5724 0.0000 0.0000 62.4842 31.6504 176.1225 80 L 3.9400 8.4275 124.9874 56.4801 42.7486 177.1622 81 K 4.1890 7.9204 121.4115 56.5886 31.4655 175.9241 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 0 H 8.44 4.64 0.00 3.31 3.41 0.00 5.53 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 E 8.17 4.12 0.00 2.01 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 2.21 2.34 0.00 3 K 8.47 4.27 0.00 1.56 1.74 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 4 R 8.92 4.73 0.00 1.65 1.39 0.00 3.12 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 5 F 8.57 4.94 0.00 2.92 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 6 Y 9.20 5.23 0.00 2.86 2.82 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 0.00 0.00 0.00 7 I 9.38 5.01 1.95 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 1.27 0.75 1.00 0.00 0.00 8 L 9.15 5.40 0.00 1.63 1.54 0.94 0.51 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 9 T 8.91 5.05 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 1.43 0.00 0.00 10 I 8.80 4.86 1.81 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 1.08 0.73 0.87 0.00 0.00 11 V 8.92 4.62 2.03 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 0.96 0.00 0.00 0.86 0.00 0.00 12 V 8.48 4.74 1.85 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 0.77 0.00 0.00 0.82 0.00 0.00 13 E 8.84 4.19 0.00 1.95 1.84 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 2.29 2.48 0.00 14 D 8.79 4.66 0.00 2.48 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 4.37 0.00 2.04 2.06 0.00 2.84 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 16 E 8.70 3.94 0.00 2.23 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 0.00 2.37 2.38 0.00 17 K 8.08 3.83 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.53 7.81 18 A 8.04 4.13 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 19 Y 7.91 4.46 0.00 3.08 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 20 R 8.27 3.79 0.00 1.97 2.10 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 21 Q 8.33 3.98 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 22 V 7.85 3.62 2.29 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 1.19 0.00 0.00 1.04 0.00 0.00 23 N 8.35 4.34 0.00 2.84 2.74 0.00 0.00 7.09 7.28 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 24 E 8.45 3.99 0.00 2.16 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 2.31 2.48 0.00 25 L 7.98 4.07 0.00 2.04 1.84 1.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.02 4.15 0.00 1.72 1.79 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 27 H 8.46 4.31 0.00 3.24 3.59 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.09 4.28 0.00 3.04 2.65 0.00 0.00 7.04 7.60 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 29 F 8.04 4.64 0.00 3.16 3.06 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 0.00 0.00 0.00 0.00 30 S 7.93 4.33 0.00 4.06 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 0.00 31 E 8.20 3.85 0.00 1.91 2.04 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 2.29 2.34 0.00 32 D 7.79 4.80 0.00 2.89 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 33 I 7.57 4.52 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 1.02 0.00 0.00 34 L 8.98 4.60 0.00 1.58 1.80 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.57 4.58 0.00 1.79 1.52 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.67 5.16 0.00 1.87 1.80 0.00 3.30 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 37 V 9.33 4.52 2.48 0.00 0.00 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 1.03 0.00 0.00 38 G 8.98 4.44 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 0.00 39 Y 9.16 4.75 0.00 3.08 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 40 P 0.00 4.32 0.00 1.74 1.82 0.00 3.38 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 41 V 7.98 4.10 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 1.15 0.00 0.00 1.02 0.00 0.00 42 R 7.86 3.90 0.00 1.85 1.91 0.00 3.15 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 43 E 8.28 3.92 0.00 1.91 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 2.30 2.35 0.00 44 E 8.24 4.47 0.00 1.92 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 2.24 2.38 0.00 45 N 7.69 3.88 0.00 2.88 2.78 0.00 0.00 6.84 6.84 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 *47 A 7.29 4.24 0.99 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 48 I 8.50 4.71 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.61 0.11 0.00 0.00 49 I 8.54 4.99 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.96 0.00 0.00 50 F 9.32 5.49 0.00 2.93 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 51 L 9.31 5.42 0.00 1.58 1.57 0.94 0.60 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 52 V 8.57 4.93 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 1.20 0.00 0.00 1.00 0.00 0.00 53 L 9.18 5.31 0.00 1.76 1.57 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.36 4.54 0.00 0.90 1.35 0.00 1.00 0.00 0.00 1.32 0.00 0.00 2.62 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.92 0.21 7.81 55 T 8.95 4.62 4.28 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 1.22 0.00 0.00 56 D 8.40 5.27 0.00 2.85 2.82 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 0.00 0.00 0.00 57 N 8.80 4.28 0.00 2.86 2.92 0.00 0.00 6.82 8.08 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 58 D 8.17 4.41 0.00 2.69 2.75 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 59 T 7.94 4.02 4.30 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 1.44 0.00 0.00 60 I 7.57 3.53 1.13 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 1.09 0.45 0.00 0.00 61 G 7.88 3.50 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 0.00 62 A 7.91 4.03 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.09 0.00 0.66 1.40 0.22 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.08 4.10 0.00 3.84 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 65 G 7.83 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.87 4.15 0.00 1.94 1.88 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.64 7.81 67 L 8.11 4.06 0.00 1.60 1.69 0.83 1.12 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 68 G 7.87 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 69 Q 7.67 4.46 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.67 0.00 70 I 7.29 4.23 1.99 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 1.20 1.33 0.97 0.00 0.00 71 S 8.61 4.21 0.00 3.83 3.79 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 72 G 9.10 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.44 4.81 2.24 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 0.84 0.00 0.00 0.93 0.00 0.00 74 R 8.97 4.87 0.00 1.74 1.76 0.00 3.10 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 75 V 8.32 4.96 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 0.67 0.00 0.00 0.94 0.00 0.00 76 K 9.20 4.60 0.00 1.84 1.67 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.45 7.81 77 T 8.66 5.14 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 1.20 0.00 0.00 78 V 9.11 4.75 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 0.88 0.00 0.00 0.99 0.00 0.00 79 P 0.00 4.57 0.00 1.97 1.83 0.00 3.57 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 80 L 8.43 3.94 0.00 1.69 1.71 0.82 0.29 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 81 K 7.92 4.19 0.00 1.91 1.94 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.