NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2899 8.1593 117.3737 63.5645 70.2141 173.1701 2 S 4.5491 8.1237 119.9334 55.5395 65.3680 173.3240 3 K 3.8698 8.7597 121.9120 59.7082 32.6215 179.9178 4 K 3.9120 7.9954 119.3334 59.3769 31.9218 178.4722 5 K 4.1233 7.6995 118.6907 58.9126 32.2434 178.2464 6 R 4.2245 7.4960 116.1213 57.0873 30.1193 177.5121 7 Q 3.9599 7.6862 117.4833 58.1839 29.0105 176.5897 8 R 4.0806 7.7874 117.5244 57.8846 30.1470 176.6992 9 G 4.0110 9.1844 111.7115 45.2356 0.0000 173.6092 10 S 4.3266 7.7650 113.0577 57.5143 63.4455 173.8274 11 R 4.0697 7.7412 123.6565 57.8721 29.3524 176.6761 12 T 4.1668 7.5675 105.7016 62.0664 69.6225 174.3571 13 H 4.2241 8.4022 117.8945 55.7393 26.0606 175.8011 14 G 3.9745 8.4216 105.8027 45.5323 0.0000 176.0475 15 G 3.6216 8.0221 108.4735 46.7872 0.0000 174.1932 16 G 3.9941 7.1989 106.6960 44.3358 0.0000 177.3276 17 S 4.3626 8.7738 118.3039 57.6381 62.7739 173.8066 18 H 4.4393 8.6994 120.4736 57.4071 28.5642 176.0392 19 K 4.0970 7.5998 118.6224 56.8475 31.5701 177.5208 20 N 4.3635 7.3258 117.4833 55.6262 39.2758 176.9931 21 R 4.4760 7.4635 120.5789 56.5852 29.0373 177.2604 22 R 4.5823 7.4124 121.8229 56.1145 30.3511 180.3343 23 G 4.0772 8.5476 122.8527 46.1361 0.0000 174.0667 24 A 4.2857 8.6099 121.3236 53.8730 18.5637 179.7484 25 G 3.5438 8.0059 104.5359 47.7500 0.0000 175.2775 26 H 4.4280 7.9301 118.9371 58.2452 29.9601 176.4706 27 R 4.4276 7.8850 117.2517 55.0971 30.9219 176.0066 28 G 3.7361 7.7183 106.3686 46.8862 0.0000 174.1874 29 G 4.0440 8.1055 105.1660 44.3591 0.0000 174.4056 30 R 4.1858 8.3259 119.0115 56.3980 31.4638 177.2807 31 G 3.8435 8.3855 111.1751 47.3046 0.0000 174.4008 32 D 4.6830 8.6663 124.7105 53.9752 40.6475 175.4754 33 A 3.9168 7.2899 122.6553 54.2478 18.6393 178.5678 34 G 3.8364 9.0404 110.6185 45.7458 0.0000 174.9940 35 R 4.1491 7.7109 115.9324 57.3332 29.2436 177.1755 36 D 5.1157 7.9376 115.9592 52.7327 42.3448 175.8029 37 K 4.3065 8.6367 117.5354 57.0689 32.4428 177.2595 38 H 4.6230 9.7583 125.7542 58.2012 29.7425 175.8942 39 E 4.8144 7.7165 120.7353 55.7524 30.2974 177.8188 40 F 4.8183 8.3891 115.2144 59.3035 38.5878 175.2645 41 H 3.6049 6.2070 115.3067 57.4317 28.7022 174.4639 42 N 4.2290 8.7595 119.8285 54.5634 36.1342 173.4606 43 H 4.9533 7.5925 113.4505 53.5558 31.4748 174.1785 44 E 4.1415 8.7362 123.5492 55.3334 29.9665 175.2813 45 P 4.4057 0.0000 0.0000 62.6456 31.8067 176.2013 46 L 4.0177 8.3129 120.2278 55.0981 42.1111 176.3722 47 G 4.3826 7.9552 107.4292 43.2498 0.0000 172.4878 48 K 4.4775 8.0655 120.0646 54.4922 33.5731 176.3357 49 S 4.4479 8.2482 117.5695 57.1333 64.7202 174.7298 50 G 4.0392 8.9376 118.6979 44.9601 0.0000 171.4466 51 F 5.0761 8.4599 112.6403 55.1099 41.2212 173.5544 52 K 4.3541 8.4396 119.2471 54.5039 35.0369 176.1525 53 R 4.6175 8.0199 120.9552 53.6461 31.8539 174.7781 54 P 4.3197 0.0000 0.0000 62.9991 31.8102 177.0515 55 Q 4.0660 9.0097 121.3787 59.1699 28.7190 178.8069 56 K 4.3254 7.9717 113.2790 57.3756 32.9834 177.0821 57 V 4.2378 7.9207 118.2790 62.7619 32.0545 174.7163 58 Q 4.4657 7.6503 118.4609 55.0510 29.6956 174.7415 59 E 4.4077 8.6524 122.6799 54.7991 31.0841 174.7246 60 E 4.4917 8.5412 124.5333 54.4045 31.5521 174.2158 61 A 4.3706 8.2993 128.6811 50.6193 20.8757 176.4540 62 A 4.4531 8.8107 124.6367 50.9068 19.7379 176.3911 63 T 5.2094 8.1333 111.1854 60.9381 71.0989 174.2599 64 I 4.5846 7.8673 121.7754 59.9972 41.9650 173.2162 65 D 5.2516 8.6151 127.8568 53.2917 42.4633 178.0711 66 V 3.6808 8.3926 114.9006 64.4987 31.5901 179.0271 67 R 3.8605 7.6117 117.6459 59.4551 29.6460 178.1805 68 E 3.9911 7.9174 117.8001 58.9182 29.9957 178.7032 69 I 3.8178 7.5895 119.5639 64.4910 37.2122 177.7070 70 D 4.2928 8.0828 117.5082 57.2900 41.0571 177.7273 71 E 4.2240 7.9767 117.7125 57.8079 29.7954 177.1699 72 N 4.9441 7.5806 115.1753 52.9037 39.3408 176.9852 73 V 3.2997 7.7363 114.6394 64.5291 31.6377 177.9126 74 T 4.0243 7.5227 108.5596 64.2230 68.9869 175.6514 75 L 4.1204 7.7149 120.4482 56.4544 42.2164 177.0127 76 L 4.4366 7.3953 120.8997 54.0599 40.9805 177.9481 77 A 4.0900 7.7197 120.5888 54.3267 19.0303 178.5383 78 A 4.3981 7.9029 117.3557 52.2881 18.3753 176.0733 79 D 5.0402 7.4132 116.2015 52.5682 44.8353 175.3179 80 D 4.4393 8.5544 120.0616 54.7708 41.0509 176.4102 81 V 4.5012 8.1558 124.5607 61.2026 30.8397 175.5093 82 A 4.3790 7.7831 128.9972 50.7247 20.5011 177.3438 83 E 3.8355 8.6974 113.3410 58.8783 29.8341 176.8070 *89 F 4.7969 7.7720 118.4431 57.5581 40.8547 173.6942 90 R 5.2799 9.0565 123.4476 54.5090 32.5103 174.9991 91 V 4.4916 8.6757 125.6150 60.1342 35.4004 174.0453 92 D 4.8456 8.7933 124.6275 52.9549 41.1798 176.7517 93 V 3.6752 8.5319 128.2793 65.9213 31.6706 178.3054 94 R 4.0140 8.0236 117.5214 58.4855 29.8749 177.3642 95 D 4.6897 7.7924 116.5325 54.7169 41.5393 178.2830 96 V 3.8454 7.4853 118.6287 64.2389 32.2482 176.5720 97 V 3.7067 7.2091 117.2700 62.6738 30.9446 175.2205 98 E 4.2721 8.5884 126.0092 56.7298 30.4019 176.0618 99 E 3.8134 8.6892 117.6146 57.5937 27.1368 176.2040 100 A 4.1694 7.5087 121.9569 55.0296 18.8338 180.7805 101 D 4.3343 8.1187 114.4499 56.1663 39.5337 176.7230 102 D 4.6005 8.0520 116.1705 52.8244 39.7800 175.3357 103 A 4.7290 7.1595 122.1141 50.2791 21.7915 176.7147 104 D 4.6678 8.6281 119.9489 57.2669 41.5994 175.8507 105 Y 4.9619 7.3565 114.2655 55.7366 42.3517 173.3029 106 V 4.7353 9.0344 120.3795 61.2869 33.6073 174.1623 107 K 4.9372 8.7680 129.6456 54.5838 34.8238 174.6259 108 V 4.6057 8.0273 127.1759 61.4454 33.2854 174.7195 109 L 4.5865 9.3936 128.7514 52.8657 43.9202 177.0444 110 G 4.2139 8.2032 108.8283 45.7730 0.0000 174.0357 111 A 4.7332 7.7205 122.4373 51.1021 21.6127 174.8128 112 G 3.7244 8.5400 109.2580 44.3037 0.0000 172.4565 113 Q 4.6466 8.4929 118.2556 54.0650 31.8809 175.6301 114 V 4.3600 7.9814 118.3193 61.5491 32.0864 174.9923 115 R 4.3788 8.8241 123.6968 56.3003 30.3418 175.8312 116 H 4.9573 7.9567 114.9360 53.8111 32.4614 173.0556 117 E 4.6506 8.8048 119.1416 55.4579 29.3645 175.0966 118 L 5.0150 8.3984 125.2430 53.5970 45.0640 176.0253 119 T 4.8141 8.7862 118.9603 61.8862 70.4625 172.0965 120 L 5.2056 8.4766 126.7158 53.2625 44.2029 175.6151 121 I 5.4013 8.6582 123.3958 58.9094 39.8806 174.6982 122 A 4.6958 8.6050 127.1968 51.0796 22.5137 176.3051 123 D 4.3944 8.6482 118.1848 57.0355 41.6452 177.1464 124 D 4.9002 8.0536 116.0681 52.5467 45.0213 174.3719 125 F 5.4290 8.7671 121.4186 55.8425 43.5228 174.3466 126 S 4.6888 8.3653 114.8358 57.0832 65.3214 174.9413 127 E 4.0925 8.8568 120.3237 59.3245 29.2187 178.7976 128 G 3.6972 8.1125 104.8853 47.1053 0.0000 175.5003 129 A 4.1494 7.6756 122.2357 54.9679 18.4034 179.9490 130 R 3.8163 7.9487 116.1253 59.4947 30.2622 178.8539 131 E 3.9532 8.0384 118.2007 59.7619 28.5822 179.8838 132 K 4.0744 7.9235 118.1856 59.0140 31.5341 179.6670 133 V 3.9099 7.5750 118.7138 65.8523 31.3718 178.0123 134 E 4.5331 7.8558 118.9822 58.4955 29.3564 179.1373 135 G 3.7778 8.1806 104.7078 46.0227 0.0000 173.7087 136 A 4.6445 7.2645 124.6198 51.7649 20.0223 175.8534 137 G 3.7220 8.7693 104.4395 46.8407 0.0000 172.5946 138 G 4.4322 8.1988 105.6706 45.5388 0.0000 171.2362 139 S 4.9389 8.6002 113.4304 56.1982 66.6555 173.2256 140 V 4.2346 8.1573 120.6915 61.2518 33.5376 174.2360 141 E 4.6470 8.9448 128.3806 54.5196 31.6727 175.1089 142 L 5.0016 8.4480 126.5396 54.4648 43.6821 176.3149 143 T 4.3852 8.2325 122.4550 62.9293 69.8168 175.4647 144 D 4.3560 8.6761 121.6112 57.0270 41.2683 177.9525 145 L 4.1570 7.9582 120.9137 57.3074 42.3938 178.1511 146 G 3.6655 7.5779 105.5974 46.8820 0.0000 173.4556 147 E 4.3652 7.4311 120.9714 56.1990 28.5463 176.6137 148 E 4.5282 7.6170 116.3662 56.6932 32.0035 178.4025 149 R 4.2142 7.7639 117.8765 54.7994 27.9829 176.2158 150 Q 4.2337 7.9341 121.8893 56.6187 29.0275 173.4798 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 T 8.16 4.29 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 2 S 8.12 4.55 0.00 4.07 3.97 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 0.00 0.00 0.00 0.00 3 K 8.76 3.87 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.50 7.81 4 K 8.00 3.91 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.51 7.81 5 K 7.70 4.12 0.00 1.81 1.99 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.51 7.81 6 R 7.50 4.22 0.00 1.77 1.94 0.00 3.21 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 7 Q 7.69 3.96 0.00 1.90 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.98 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 8 R 7.79 4.08 0.00 1.79 1.89 0.00 3.35 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 9.18 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 10 S 7.77 4.33 0.00 4.00 3.97 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 0.00 0.00 0.00 0.00 11 R 7.74 4.07 0.00 1.97 2.03 0.00 3.21 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.57 4.17 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 1.32 0.00 0.00 13 H 8.40 4.22 0.00 3.20 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.42 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.02 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 16 G 7.20 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 17 S 8.77 4.36 0.00 3.87 3.88 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 18 H 8.70 4.44 0.00 3.30 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.60 4.10 0.00 1.74 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.27 7.81 20 N 7.33 4.36 0.00 2.77 2.56 0.00 0.00 6.95 7.80 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 21 R 7.46 4.48 0.00 1.79 1.92 0.00 3.19 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 22 R 7.41 4.58 0.00 1.75 0.88 0.00 3.30 0.00 0.00 3.20 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 23 G 8.55 4.08 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 0.00 0.00 0.00 24 A 8.61 4.29 1.33 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 25 G 8.01 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 7.93 4.43 0.00 3.10 3.47 0.00 5.93 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 27 R 7.89 4.43 0.00 2.04 1.94 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 28 G 7.72 3.74 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 0.00 0.00 0.00 29 G 8.11 4.04 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 0.00 0.00 0.00 30 R 8.33 4.19 0.00 1.82 1.89 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 31 G 8.39 3.84 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 0.00 0.00 0.00 32 D 8.67 4.68 0.00 2.72 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 33 A 7.29 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 34 G 9.04 3.84 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 0.00 0.00 0.00 35 R 7.71 4.15 0.00 1.70 1.90 0.00 2.73 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 1.57 1.57 0.00 36 D 7.94 5.12 0.00 2.75 2.76 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 0.00 0.00 0.00 37 K 8.64 4.31 0.00 1.80 1.57 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.51 7.81 38 H 9.76 4.62 0.00 3.33 3.47 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.72 4.81 0.00 2.05 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 0.00 2.26 2.14 0.00 40 F 8.39 4.82 0.00 3.26 3.28 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 41 H 6.21 3.60 0.00 2.96 3.05 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.76 4.23 0.00 2.76 2.82 0.00 0.00 6.87 8.16 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 43 H 7.59 4.95 0.00 3.38 3.19 0.00 5.85 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 44 E 8.74 4.14 0.00 1.98 1.91 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 2.33 2.31 0.00 45 P 0.00 4.41 0.00 2.19 2.10 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.31 4.02 0.00 1.66 1.65 0.92 0.91 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 47 G 7.96 4.38 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 0.00 48 K 8.07 4.48 0.00 1.76 1.76 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.25 4.45 0.00 3.78 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 50 G 8.94 4.04 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 0.00 0.00 0.00 51 F 8.46 5.08 0.00 3.12 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 52 K 8.44 4.35 0.00 1.70 1.65 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.35 7.81 53 R 8.02 4.62 0.00 1.73 1.86 0.00 3.32 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.49 0.00 54 P 0.00 4.32 0.00 2.23 2.21 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 55 Q 9.01 4.07 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.05 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 56 K 7.97 4.33 0.00 1.86 1.92 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 57 V 7.92 4.24 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.65 4.47 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 59 E 8.65 4.41 0.00 1.97 1.86 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 2.45 2.31 0.00 60 E 8.54 4.49 0.00 1.95 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 2.18 2.21 0.00 61 A 8.30 4.37 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 62 A 8.81 4.45 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 63 T 8.13 5.21 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 1.16 0.00 0.00 64 I 7.87 4.58 1.84 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 1.32 1.32 0.92 0.00 0.00 65 D 8.62 5.25 0.00 2.63 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 66 V 8.39 3.68 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 0.90 0.00 0.00 0.96 0.00 0.00 67 R 7.61 3.86 0.00 2.06 1.99 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 68 E 7.92 3.99 0.00 2.03 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 2.30 2.33 0.00 69 I 7.59 3.82 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 1.51 0.79 0.89 0.00 0.00 70 D 8.08 4.29 0.00 2.76 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 71 E 7.98 4.22 0.00 2.05 1.97 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 0.00 2.33 2.47 0.00 72 N 7.58 4.94 0.00 2.68 2.71 0.00 0.00 6.84 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 73 V 7.74 3.30 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 0.00 0.00 0.37 0.00 0.00 0.39 0.00 0.00 74 T 7.52 4.02 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 1.23 0.00 0.00 75 L 7.71 4.12 0.00 1.74 1.74 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.40 4.44 0.00 1.84 1.58 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.72 4.09 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 78 A 7.90 4.40 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 79 D 7.41 5.04 0.00 2.82 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 80 D 8.55 4.44 0.00 3.06 2.64 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 81 V 8.16 4.50 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 0.59 0.00 0.00 1.06 0.00 0.00 82 A 7.78 4.38 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 83 E 8.70 3.84 0.00 2.05 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 2.26 2.32 0.00 *89 F 7.77 4.80 0.00 3.16 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 90 R 9.06 5.28 0.00 1.81 1.82 0.00 3.24 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.68 4.49 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 0.66 0.00 0.00 0.99 0.00 0.00 92 D 8.79 4.85 0.00 2.81 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 93 V 8.53 3.68 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 0.86 0.00 0.00 0.98 0.00 0.00 94 R 8.02 4.01 0.00 1.99 1.99 0.00 3.26 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 95 D 7.79 4.69 0.00 2.68 2.71 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 0.00 0.00 0.00 96 V 7.49 3.85 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 0.78 0.00 0.00 0.92 0.00 0.00 97 V 7.21 3.71 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 0.82 0.00 0.00 0.98 0.00 0.00 98 E 8.59 4.27 0.00 2.05 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 2.36 2.31 0.00 99 E 8.69 3.81 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 2.19 2.27 0.00 100 A 7.51 4.17 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 0.00 101 D 8.12 4.33 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.05 4.60 0.00 2.78 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 0.00 103 A 7.16 4.73 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 0.00 104 D 8.63 4.67 0.00 2.65 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 0.00 105 Y 7.36 4.96 0.00 2.99 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 0.00 106 V 9.03 4.74 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 0.87 0.00 0.00 0.93 0.00 0.00 107 K 8.77 4.94 0.00 2.08 1.63 0.00 1.99 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.48 7.81 108 V 8.03 4.61 1.68 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 0.99 0.00 0.00 0.58 0.00 0.00 109 L 9.39 4.59 0.00 1.78 1.56 0.91 0.59 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 0.00 110 G 8.20 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 0.00 111 A 7.72 4.73 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 0.00 112 G 8.54 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 0.00 113 Q 8.49 4.65 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 114 V 7.98 4.36 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 0.99 0.00 0.00 0.96 0.00 0.00 115 R 8.82 4.38 0.00 1.96 1.90 0.00 3.22 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 116 H 7.96 4.96 0.00 3.23 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.80 4.65 0.00 2.11 2.22 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 2.25 2.37 0.00 118 L 8.40 5.02 0.00 1.68 1.67 0.96 0.70 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 0.00 119 T 8.79 4.81 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 1.23 0.00 0.00 120 L 8.48 5.21 0.00 1.81 1.86 1.14 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.66 5.40 2.12 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 1.17 2.22 1.03 0.00 0.00 122 A 8.60 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.65 4.39 0.00 2.76 2.67 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 0.00 124 D 8.05 4.90 0.00 2.49 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.77 5.43 0.00 2.89 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 0.00 126 S 8.37 4.69 0.00 3.99 4.04 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 0.00 127 E 8.86 4.09 0.00 2.08 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 2.39 2.39 0.00 128 G 8.11 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 0.00 129 A 7.68 4.15 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 0.00 130 R 7.95 3.82 0.00 2.05 1.94 0.00 3.13 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 131 E 8.04 3.95 0.00 2.12 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 2.34 2.48 0.00 132 K 7.92 4.07 0.00 1.86 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 133 V 7.57 3.91 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 1.09 0.00 0.00 1.06 0.00 0.00 134 E 7.86 4.53 0.00 2.10 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 2.31 2.23 0.00 135 G 8.18 3.78 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 0.00 0.00 0.00 136 A 7.26 4.64 1.33 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 0.00 137 G 8.77 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 0.00 138 G 8.20 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.60 4.94 0.00 3.81 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 0.00 140 V 8.16 4.23 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 -0.31 0.00 0.00 0.33 0.00 0.00 141 E 8.94 4.65 0.00 1.96 1.86 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 2.22 2.20 0.00 142 L 8.45 5.00 0.00 1.66 1.58 1.20 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.23 4.39 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 1.23 0.00 0.00 144 D 8.68 4.36 0.00 2.67 2.73 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 0.00 145 L 7.96 4.16 0.00 1.68 1.78 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.58 3.67 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 0.00 147 E 7.43 4.37 0.00 2.10 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 2.50 0.00 148 E 7.62 4.53 0.00 1.84 1.91 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 2.18 2.39 0.00 149 R 7.76 4.21 0.00 1.79 1.90 0.00 3.26 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 150 Q 7.93 4.23 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.65 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.