NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.7038 8.4449 116.2917 55.9284 29.7686 171.8448 5 H 4.7620 8.2660 116.8484 53.3156 32.8118 170.1227 6 H 4.8889 8.2708 115.3706 53.8930 32.5202 172.0267 *8 R 4.1296 8.2036 118.0001 56.2478 30.6079 174.4716 9 K 4.7376 8.1935 122.1546 53.6285 36.1467 174.4696 10 P 4.4572 0.0000 0.0000 62.6020 32.0763 175.6041 11 I 4.3612 8.0518 113.6673 59.2921 39.3815 174.6412 12 E 4.6662 8.4279 122.5204 55.0482 31.3496 175.0839 13 H 5.0903 8.4495 118.6969 54.4549 32.5543 173.4189 14 T 4.6839 8.7725 109.4600 61.2722 69.8585 174.1196 15 A 4.7145 7.7367 125.5578 51.1281 17.9293 175.4003 16 D 4.9016 9.1531 120.7870 55.6796 42.5418 176.9774 17 I 4.8443 7.8128 110.1703 58.9908 41.1938 174.0565 18 A 5.5103 8.4337 124.4435 50.7651 22.2757 174.7564 19 Y 4.8367 9.2882 117.0460 56.3259 43.1083 173.7609 20 E 5.1773 9.0274 122.6007 54.6212 31.4325 174.9230 21 I 4.8455 8.8543 121.1826 59.3515 40.4811 174.7303 22 S 4.9999 8.2429 117.4823 57.4805 66.4851 173.2995 23 G 3.9956 8.3037 106.4689 46.9865 0.0000 173.3037 24 N 5.1130 9.7423 116.6306 52.5450 39.3855 175.3189 25 S 4.5514 7.2404 112.6645 56.3396 66.9615 174.7363 26 Y 3.8533 8.4306 122.5700 60.7965 38.4631 177.6419 27 E 3.9814 8.2329 119.7247 59.4073 29.8292 178.5470 28 E 4.0181 8.0931 118.0276 59.1034 29.4086 179.3033 29 L 4.0387 7.6282 118.9870 57.7079 41.5401 179.4511 30 L 4.0227 7.7715 118.9721 57.6774 41.4061 179.3586 31 E 3.9579 8.2808 118.7487 59.4974 29.3784 179.2651 32 E 3.9802 8.4067 118.4549 59.1384 29.4864 179.2320 33 A 4.1349 8.3544 121.1667 55.0302 18.4432 179.5430 34 R 3.8326 8.5389 117.4710 59.8000 30.1756 178.2521 35 N 4.2453 8.3782 116.4746 56.5091 38.5525 177.3741 36 I 3.3953 7.7344 120.8139 64.2197 37.1406 178.3439 37 L 3.7906 7.6982 119.6414 57.8586 41.5071 179.7444 38 L 3.9412 7.8065 118.7274 57.6400 41.5676 179.2902 39 E 3.8761 8.1992 119.2055 59.3308 29.7950 178.4254 40 E 3.9682 8.6355 119.6954 59.0627 29.8471 177.8063 41 E 4.3814 8.3290 116.6660 55.4560 29.8321 176.6842 42 G 4.3877 7.6291 106.0612 45.3951 0.0000 174.1418 43 I 4.0537 7.7249 119.9482 60.9563 38.0603 176.3481 44 V 4.3731 9.0615 126.8409 61.0882 33.8473 174.2992 45 L 4.8798 8.3944 127.1311 53.8026 43.2938 176.2961 46 D 4.7764 9.1421 123.6361 53.6195 43.2675 176.6831 47 T 3.9563 8.2657 107.4883 63.3421 69.9910 174.9473 48 E 4.1082 8.0237 123.6199 56.6996 30.5398 175.7225 49 E 5.5925 8.7491 124.7799 54.9928 33.2465 174.8499 50 K 4.4711 8.5975 120.1384 55.5589 35.8717 174.2417 51 E 5.3606 8.5871 124.0776 54.9284 33.4009 175.5878 52 K 4.2746 8.7974 122.4489 55.7366 36.7671 174.7365 *54 Y 4.8120 8.4665 120.1098 58.0264 39.7969 173.0766 55 P 4.5681 0.0000 0.0000 63.0429 32.3594 176.6318 56 L 4.5058 8.6921 126.8048 53.5213 40.8687 173.3607 57 E 4.3735 8.0049 121.6876 53.6887 31.9365 176.8066 58 E 3.3926 8.2484 130.2051 55.6188 28.1855 176.5524 59 T 4.9435 7.0460 110.6541 59.2643 74.0028 174.7611 60 E 3.7098 8.5416 121.2553 59.4240 29.3746 179.3933 61 D 4.6374 8.4267 119.7380 56.9492 40.9365 178.5210 62 A 4.1083 8.3062 121.2740 54.9631 18.2743 179.4118 63 F 4.1654 8.6481 120.6016 60.8443 39.5687 176.9617 64 F 3.7927 8.8093 120.5855 61.5190 39.2614 176.7556 65 D 4.4093 8.5982 118.6139 57.6336 40.5975 179.1073 66 T 3.3123 7.8956 116.2981 66.4756 68.4008 177.0942 67 V 2.4623 6.8521 120.1751 65.6137 31.4815 177.8192 68 N 4.2434 7.6618 116.0966 55.8852 38.1500 176.9309 69 D 4.4252 7.7212 119.6101 56.9671 41.2278 178.2342 70 W 4.7059 8.0220 119.7447 59.9956 29.0521 178.5352 71 I 3.8379 7.9331 119.9289 64.0933 36.1748 178.2879 72 L 3.9995 7.9065 121.1618 58.2926 41.9782 178.8485 73 E 4.0384 8.6221 118.8021 59.5329 29.2666 179.4208 74 I 4.4219 8.5139 121.8055 63.9218 37.0061 178.4946 75 S 4.2238 8.0729 113.5007 60.3436 62.8541 175.5124 76 K 4.4980 7.5589 120.4694 55.9729 32.3923 176.9629 77 G 3.7475 8.5860 108.7773 44.6624 0.0000 172.6147 78 W 5.3268 8.7935 119.6310 54.4749 32.3995 174.2317 79 A 5.3066 9.0705 126.6242 49.0797 21.3618 173.9397 80 P 3.4368 0.0000 0.0000 62.8859 31.2361 174.8072 81 W 4.7232 8.7949 132.0389 58.5390 32.6033 175.3699 82 R 4.3581 7.6239 116.7632 54.0730 33.9374 174.1876 83 I 4.9301 7.9313 120.9594 59.4578 40.8796 174.7512 84 K 4.5114 9.1160 127.8602 54.3433 35.1423 175.2911 85 R 4.4897 8.7406 128.1791 56.5837 31.4148 176.2457 86 E 4.4927 9.3440 125.3469 55.3635 32.4181 176.6361 87 G 3.9432 8.1820 117.1992 46.9521 0.0000 172.3437 88 N 5.0924 8.6682 119.1885 52.3885 38.2711 172.9005 89 E 5.3613 8.3535 116.9020 55.9097 34.9052 174.3168 90 L 5.2140 9.4142 121.4997 52.9869 44.4875 176.1819 91 K 4.5756 9.4601 126.1057 55.2604 33.8386 175.0792 92 V 4.6479 8.9969 128.7173 61.6482 33.5847 174.3530 93 T 4.9991 8.7032 125.5290 62.5055 70.2325 174.1686 94 F 5.2831 10.0128 126.3871 56.1969 41.9159 175.0738 95 R 5.2732 9.0489 119.6344 53.9677 33.9348 175.1545 96 K 3.6339 8.7289 124.1912 56.4004 33.4054 175.8565 97 I 4.3402 7.8343 128.7562 61.2785 37.0732 175.9323 98 R 4.1680 9.4042 129.3017 58.0828 30.2487 176.2988 99 K 4.6570 7.6187 115.7163 55.7544 36.1193 173.9223 100 K 4.9902 8.3987 119.1118 55.1089 36.0091 176.9226 101 E 4.4408 8.6188 122.7354 55.4752 32.1378 175.3490 102 G 4.0928 7.6901 113.2896 46.5098 0.0000 169.5243 103 T 4.3325 7.8371 119.6738 62.0415 69.2424 174.5705 104 E 4.1943 8.7348 127.0510 56.4146 29.9595 176.1574 105 I 4.2796 8.6528 125.7927 60.3345 37.6024 176.2594 106 K 4.3065 9.1762 127.4466 58.9661 32.8084 177.0233 107 A 4.4769 7.6530 118.3467 51.3159 22.3348 174.8416 108 L 4.3974 9.1299 122.8410 54.1188 43.1651 176.6134 109 T 4.6650 8.3489 117.1911 60.7200 70.8144 174.0865 110 Y 4.3207 8.4645 116.6595 58.2925 38.3686 175.4433 111 H 4.3146 7.8603 118.4567 57.2163 28.8920 174.9756 112 L 3.5428 8.7666 122.2105 55.1700 39.3314 174.2194 113 L 4.1577 7.7853 121.1679 54.8314 41.3989 176.7936 114 K 4.1717 8.3915 127.2846 55.2883 34.5931 175.0186 115 F 4.9226 9.0311 127.2314 57.7501 39.6107 174.9981 116 E 4.8083 9.7268 122.6076 54.6409 33.1735 174.8603 117 R 4.9623 8.6463 122.5645 54.9030 32.3757 176.3250 118 D 4.5162 9.2143 123.2252 53.2827 43.1818 176.5414 119 G 3.8612 8.0635 118.8409 46.8515 0.0000 174.0522 120 D 4.5015 8.7459 126.6784 54.8967 41.3743 175.2306 121 V 4.4169 7.8192 121.0200 61.5022 33.3327 174.1546 122 L 5.2542 9.0645 130.4878 53.2236 44.3179 175.1687 123 K 5.0982 9.0043 124.5347 56.2951 36.7279 174.5318 124 T 4.5352 8.3454 112.9917 61.5037 71.3101 172.3530 125 K 4.8979 8.6985 124.7798 56.0153 33.8722 176.7970 126 V 4.4357 9.0905 115.4782 59.6693 35.7401 174.6660 127 V 4.9190 8.2607 124.6627 61.1792 34.1494 174.1671 128 F 5.3624 9.5803 126.6019 55.8931 42.3235 173.8144 129 D 5.5495 9.4156 121.4981 52.1456 43.1423 176.6904 130 T 4.2694 9.2328 115.5394 61.8789 68.8576 173.5761 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 4 H 8.44 4.70 0.00 3.22 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.27 4.76 0.00 3.17 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.27 4.89 0.00 3.21 3.26 0.00 5.56 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 *8 R 8.20 4.13 0.00 1.82 1.92 0.00 3.24 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 9 K 8.19 4.74 0.00 1.72 1.64 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 10 P 0.00 4.46 0.00 2.18 2.05 0.00 3.74 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 1.98 1.95 0.00 11 I 8.05 4.36 1.69 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 1.43 0.54 0.89 0.00 0.00 12 E 8.43 4.67 0.00 1.95 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 2.23 2.29 0.00 13 H 8.45 5.09 0.00 3.30 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.77 4.68 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 15 A 7.74 4.71 1.15 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 0.00 0.00 16 D 9.15 4.90 0.00 2.81 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 17 I 7.81 4.84 1.91 0.00 0.00 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 1.51 1.73 0.96 0.00 0.00 18 A 8.43 5.51 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 19 Y 9.29 4.84 0.00 3.04 2.91 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 20 E 9.03 5.18 0.00 1.99 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 2.23 2.38 0.00 21 I 8.85 4.85 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.59 1.03 0.00 0.00 22 S 8.24 5.00 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 23 G 8.30 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 24 N 9.74 5.11 0.00 2.66 2.84 0.00 0.00 6.77 7.46 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 25 S 7.24 4.55 0.00 4.02 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 26 Y 8.43 3.85 0.00 2.93 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 27 E 8.23 3.98 0.00 2.15 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 2.56 2.43 0.00 28 E 8.09 4.02 0.00 2.18 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 2.30 2.33 0.00 29 L 7.63 4.04 0.00 1.67 1.60 0.42 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.77 4.02 0.00 1.84 1.89 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.28 3.96 0.00 2.20 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 2.25 2.46 0.00 32 E 8.41 3.98 0.00 2.20 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 2.49 2.49 0.00 33 A 8.35 4.13 1.44 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 34 R 8.54 3.83 0.00 1.51 2.09 0.00 3.02 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 35 N 8.38 4.25 0.00 2.88 2.83 0.00 0.00 7.11 7.48 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 36 I 7.73 3.40 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.53 -0.14 0.00 0.00 37 L 7.70 3.79 0.00 1.84 1.71 1.19 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.81 3.94 0.00 1.67 1.69 0.98 0.87 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 39 E 8.20 3.88 0.00 2.02 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 2.32 2.32 0.00 40 E 8.64 3.97 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 41 E 8.33 4.38 0.00 2.16 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 2.51 2.40 0.00 42 G 7.63 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 0.00 0.00 0.00 0.00 43 I 7.72 4.05 1.85 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 1.09 0.56 0.88 0.00 0.00 44 V 9.06 4.37 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 0.93 0.00 0.00 0.95 0.00 0.00 45 L 8.39 4.88 0.00 1.38 1.36 0.76 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.14 4.78 0.00 2.48 2.49 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 47 T 8.27 3.96 4.15 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 1.12 0.00 0.00 48 E 8.02 4.11 0.00 2.09 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 2.82 2.52 0.00 49 E 8.75 5.59 0.00 1.94 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 2.22 2.45 0.00 50 K 8.60 4.47 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.79 0.88 7.81 51 E 8.59 5.36 0.00 1.86 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 2.30 2.37 0.00 52 K 8.80 4.27 0.00 1.89 1.36 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.33 7.81 *54 Y 8.47 4.81 0.00 3.10 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 55 P 0.00 4.57 0.00 2.13 2.11 0.00 4.00 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 56 L 8.69 4.51 0.00 1.75 1.78 1.16 1.27 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 57 E 8.00 4.37 0.00 1.89 1.76 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 2.11 2.24 0.00 58 E 8.25 3.39 0.00 1.86 1.75 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 2.13 1.84 0.00 59 T 7.05 4.94 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 1.24 0.00 0.00 60 E 8.54 3.71 0.00 1.98 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 2.12 1.47 0.00 61 D 8.43 4.64 0.00 2.76 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 62 A 8.31 4.11 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.65 4.17 0.00 3.72 3.39 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 0.00 64 F 8.81 3.79 0.00 2.79 3.12 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 0.00 65 D 8.60 4.41 0.00 2.94 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 66 T 7.90 3.31 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 -0.22 0.00 0.00 67 V 6.85 2.46 1.44 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 0.94 0.00 0.00 -0.35 0.00 0.00 68 N 7.66 4.24 0.00 2.45 2.61 0.00 0.00 6.64 7.41 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 69 D 7.72 4.43 0.00 2.98 2.96 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 70 W 8.02 4.71 0.00 3.58 3.20 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 0.00 0.00 0.00 71 I 7.93 3.84 2.07 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 1.48 1.05 1.01 0.00 0.00 72 L 7.91 4.00 0.00 1.83 1.97 0.95 0.98 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 73 E 8.62 4.04 0.00 2.35 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 0.00 2.46 1.90 0.00 74 I 8.51 4.42 2.12 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 1.30 2.20 1.01 0.00 0.00 75 S 8.07 4.22 0.00 4.06 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 76 K 7.56 4.50 0.00 2.08 2.05 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.67 7.81 77 G 8.59 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 78 W 8.79 5.33 0.00 3.31 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 79 A 9.07 5.31 1.26 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 0.00 0.00 0.00 80 P 0.00 3.44 0.00 0.61 0.49 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 81 W 8.79 4.72 0.00 3.10 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 82 R 7.62 4.36 0.00 1.24 1.29 0.00 2.69 0.00 0.00 2.68 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 83 I 7.93 4.93 1.79 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 1.09 0.36 0.96 0.00 0.00 84 K 9.12 4.51 0.00 1.70 1.58 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.33 7.81 85 R 8.74 4.49 0.00 2.06 1.83 0.00 3.28 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 86 E 9.34 4.49 0.00 1.99 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 2.23 2.25 0.00 87 G 8.18 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 0.00 0.00 0.00 88 N 8.67 5.09 0.00 2.78 3.03 0.00 0.00 5.70 7.66 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 89 E 8.35 5.36 0.00 2.11 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 2.26 2.31 0.00 90 L 9.41 5.21 0.00 1.68 1.71 1.13 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.46 4.58 0.00 1.82 1.84 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.41 7.81 92 V 9.00 4.65 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 -0.07 0.00 0.00 1.26 0.00 0.00 93 T 8.70 5.00 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 1.55 0.00 0.00 94 F 10.01 5.28 0.00 3.06 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 95 R 9.05 5.27 0.00 1.54 1.56 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.23 0.00 96 K 8.73 3.63 0.00 1.28 1.37 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.00 1.02 7.81 97 I 7.83 4.34 1.72 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 1.07 0.67 0.85 0.00 0.00 98 R 9.40 4.17 0.00 1.75 1.95 0.00 3.06 0.00 0.00 3.07 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 99 K 7.62 4.66 0.00 1.78 1.80 0.00 1.47 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.43 7.81 100 K 8.40 4.99 0.00 1.58 1.80 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.29 1.39 7.81 101 E 8.62 4.44 0.00 1.90 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 2.21 2.25 0.00 102 G 7.69 4.09 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 0.00 0.00 0.00 103 T 7.84 4.33 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 0.00 104 E 8.73 4.19 0.00 1.95 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 2.32 2.39 0.00 105 I 8.65 4.28 1.82 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.43 0.98 0.00 0.00 106 K 9.18 4.31 0.00 1.82 1.91 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.44 7.81 107 A 7.65 4.48 1.19 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 0.00 0.00 0.00 0.00 0.00 108 L 9.13 4.40 0.00 1.34 1.10 0.13 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.35 4.67 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 1.36 0.00 0.00 110 Y 8.46 4.32 0.00 3.01 2.86 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 0.00 111 H 7.86 4.31 0.00 3.22 3.27 0.00 5.81 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 0.00 112 L 8.77 3.54 0.00 1.81 1.76 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.79 4.16 0.00 1.60 1.73 0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.39 4.17 0.00 1.64 1.61 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.34 7.81 115 F 9.03 4.92 0.00 2.93 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 0.00 116 E 9.73 4.81 0.00 1.85 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 2.24 2.46 0.00 117 R 8.65 4.96 0.00 1.70 1.85 0.00 3.18 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 118 D 9.21 4.52 0.00 2.57 2.49 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 0.00 119 G 8.06 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 0.00 120 D 8.75 4.50 0.00 2.79 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 0.00 121 V 7.82 4.42 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 0.94 0.00 0.00 0.93 0.00 0.00 122 L 9.06 5.25 0.00 1.67 1.39 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 123 K 9.00 5.10 0.00 1.92 1.85 0.00 1.42 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.41 7.81 124 T 8.35 4.54 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 1.21 0.00 0.00 125 K 8.70 4.90 0.00 1.70 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.83 7.81 126 V 9.09 4.44 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 0.85 0.00 0.00 1.29 0.00 0.00 127 V 8.26 4.92 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 1.18 0.00 0.00 0.97 0.00 0.00 128 F 9.58 5.36 0.00 3.12 3.07 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 0.00 129 D 9.42 5.55 0.00 2.99 2.61 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 0.00 130 T 9.23 4.27 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 1.28 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.