NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3332 8.2549 119.0561 55.5530 31.5385 176.3715 8 P 2.9700 0.0000 0.0000 61.5632 32.8446 173.8695 9 N 4.8966 8.3862 117.5583 52.6535 42.8647 173.8488 10 H 4.4575 9.0582 120.9514 58.7949 30.3316 175.3742 11 T 5.2747 9.2531 115.7096 62.1037 70.7087 174.0590 12 I 4.8170 8.5771 119.5521 59.3155 40.3014 174.0720 13 Y 3.9062 9.1060 128.6886 56.8246 39.5983 173.7820 14 I 4.5630 8.0334 129.4283 59.7465 39.5389 174.9430 15 N 4.8616 8.2781 125.4554 51.5746 40.8589 172.8440 16 N 4.5387 8.5012 112.0085 55.3452 37.2293 174.1201 17 L 4.8276 7.3489 115.7689 52.5693 44.7948 176.5643 18 N 4.4612 8.5350 119.7262 53.6394 39.1313 175.8806 19 E 4.1594 8.7028 125.6492 58.8455 29.9075 178.1716 20 K 4.1007 7.7303 116.8096 57.7885 32.2739 176.9037 21 I 4.0626 6.7560 119.7544 59.5608 38.2204 176.5438 22 K 4.2100 8.1902 124.3147 56.0688 34.8613 177.7922 23 K 3.7794 8.6240 121.4422 60.1090 31.9916 178.4241 24 D 4.2940 7.9914 117.2768 57.2018 41.2590 177.3054 25 E 3.9610 8.1870 119.3712 59.4971 29.7483 178.3791 26 L 4.1395 8.1595 120.3286 58.0647 41.9491 178.8821 27 K 4.0120 8.0373 119.1259 59.5746 31.6805 179.0730 28 K 4.1042 8.3067 118.7872 59.5302 32.3098 179.6533 29 S 4.4147 8.6361 115.7108 61.4803 62.6505 176.6602 30 L 3.9037 8.2427 121.7642 57.8266 41.1871 178.7290 31 H 4.2824 8.0902 117.0959 58.5282 29.8387 176.7799 32 A 4.1787 7.7211 121.5313 54.7168 18.2653 178.6848 33 I 4.0295 7.2211 115.8534 62.7653 37.8661 177.3343 34 F 5.0294 7.7261 115.9030 57.7893 38.6862 176.7711 35 S 4.3782 7.6331 116.7079 60.7295 63.2475 175.9672 36 R 3.9509 7.7214 117.1016 58.8356 29.5694 177.8568 37 F 4.3208 8.1247 116.5785 60.0321 39.4146 174.9113 38 G 4.5660 7.9411 103.8235 46.8903 0.0000 171.8124 39 Q 4.7380 8.4761 118.6745 55.0108 30.6810 174.7821 40 I 4.3302 8.2384 124.8075 60.2976 37.8397 175.9267 41 L 4.0767 8.9695 128.5798 57.3542 42.1149 176.5555 42 D 4.6449 7.4075 115.3195 53.4094 44.7721 173.4146 43 I 4.9531 8.2457 122.8757 59.4678 40.0853 174.9475 44 L 4.5725 8.9262 127.8987 53.6283 43.2127 175.9724 45 V 4.7672 8.3748 123.2106 61.2302 34.1452 174.4579 46 S 4.7249 8.7679 121.0337 56.7216 65.4423 173.5697 47 R 4.6117 8.4655 124.6478 55.9197 30.3680 175.9231 48 S 4.4376 7.5120 110.8907 57.3694 63.9476 174.8723 49 L 3.9119 8.6068 122.5732 58.2764 41.5743 178.0985 50 K 4.3702 7.9577 113.8277 57.3594 32.4091 176.8548 51 M 4.8688 7.3102 114.2421 54.3710 33.7235 175.9496 52 R 4.2423 7.4843 115.7757 56.5214 30.3059 176.4970 53 G 3.9435 8.9286 107.0024 46.5153 0.0000 172.6890 54 Q 4.7558 7.8503 115.7134 53.8563 33.0980 174.5320 55 A 4.8299 8.8284 123.1041 50.6119 23.3052 175.1128 56 F 4.9713 8.9933 120.8112 55.9359 41.2629 175.2074 57 V 4.1531 8.2264 125.3099 61.2672 33.0211 175.0318 58 I 4.5736 8.0648 130.4407 60.2270 37.7264 175.4188 59 F 4.8824 8.8076 126.5229 56.4707 39.4468 176.7633 60 K 4.1947 8.9157 123.2968 58.3395 32.2996 177.6115 61 E 4.8809 8.0078 117.3685 53.9197 33.6887 176.9804 62 V 3.5261 8.1702 121.6749 66.2063 31.6803 178.3230 63 S 4.1554 8.0846 112.4037 61.4825 62.0801 176.2011 64 S 4.0617 7.9645 117.0311 61.6220 62.5615 176.4461 65 A 3.4779 7.3639 122.5796 54.6750 18.1332 179.9776 66 T 4.0538 8.0554 116.5284 66.4593 68.6098 176.8181 67 N 4.2971 8.2927 118.4621 55.8777 38.4740 177.3695 68 A 2.0000 7.2486 122.2121 54.2400 17.9334 179.2273 69 L 3.6877 7.1366 118.7674 58.4595 41.8721 179.4167 70 R 3.7134 7.3059 115.7560 59.3153 30.0637 178.9782 71 S 4.3726 7.7657 113.5471 61.3777 63.5359 175.7342 72 M 4.5538 7.8046 119.3073 54.1333 31.6050 175.5176 73 Q 3.9731 7.1894 121.3228 58.9241 28.6600 176.0199 74 G 3.9753 8.7054 114.3545 44.9709 0.0000 172.1932 75 F 4.0918 8.1340 122.9134 57.0215 39.7469 172.5968 76 P 4.4042 0.0000 0.0000 62.4873 31.0479 175.7574 77 F 4.6871 8.8244 126.4644 57.1867 41.6295 174.2182 78 Y 3.3309 8.5137 127.6805 59.2441 34.3715 171.5632 79 D 4.6994 8.0963 115.9221 54.4832 40.4100 174.8196 80 K 4.8392 7.6597 118.7744 53.5010 36.1094 174.2709 81 P 4.8039 0.0000 0.0000 63.2838 32.4414 175.5986 82 M 4.5447 8.7041 121.1905 54.5314 34.2237 175.1107 83 R 4.8851 8.4822 122.2363 54.7498 32.5706 174.4003 84 I 4.9132 8.2403 126.4688 59.6646 39.5626 175.1360 85 Q 4.7026 9.0416 125.2055 53.8279 32.8444 174.5595 86 Y 4.7472 8.3316 117.1801 57.6675 39.5179 175.1596 87 A 4.3642 8.7100 126.7467 52.5239 18.5369 178.7955 88 K 4.1014 9.0905 124.6639 57.0277 32.0697 174.7293 89 T 4.8304 7.4294 106.6765 59.0619 71.7847 173.3073 90 D 4.5566 8.4148 121.9232 54.3504 41.8105 177.3334 91 S 4.3927 8.3371 117.5628 58.1674 64.6281 175.3494 92 D 4.3829 8.5252 122.8799 57.5985 40.2481 179.0036 93 I 3.7998 7.5773 118.0076 63.6761 38.1399 177.6058 94 I 3.8259 7.5965 119.4929 64.1695 37.2956 177.6745 95 A 4.1365 7.8628 122.4704 55.3355 18.4773 178.1366 96 K 4.1504 7.5655 121.2511 54.6221 32.0514 178.3772 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 R 8.25 4.33 0.00 1.85 1.69 0.00 3.23 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.83 1.57 0.00 3.48 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 9 N 8.39 4.90 0.00 2.67 2.97 0.00 0.00 7.04 7.89 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 10 H 9.06 4.46 0.00 3.25 3.65 0.00 5.85 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 9.25 5.27 4.50 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 1.47 0.00 0.00 12 I 8.58 4.82 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.92 0.00 0.00 13 Y 9.11 3.91 0.00 2.95 2.94 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 14 I 8.03 4.56 1.66 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.45 0.79 0.00 0.00 15 N 8.28 4.86 0.00 2.58 2.45 0.00 0.00 6.25 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.50 4.54 0.00 2.83 2.97 0.00 0.00 6.74 7.78 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 17 L 7.35 4.83 0.00 1.65 1.69 0.91 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.53 4.46 0.00 2.90 2.56 0.00 0.00 6.98 7.65 0.00 0.00 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 E 8.70 4.16 0.00 1.98 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 2.48 0.00 20 K 7.73 4.10 0.00 1.91 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.76 4.06 1.37 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.12 0.53 0.00 0.00 22 K 8.19 4.21 0.00 1.96 1.90 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 23 K 8.62 3.78 0.00 1.81 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.48 7.81 24 D 7.99 4.29 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 3.96 0.00 2.08 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 0.00 2.49 2.45 0.00 26 L 8.16 4.14 0.00 1.88 1.85 1.17 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.04 4.01 0.00 2.08 2.02 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.51 7.81 28 K 8.31 4.10 0.00 2.06 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.67 7.81 29 S 8.64 4.41 0.00 4.42 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 0.00 30 L 8.24 3.90 0.00 2.00 1.71 1.00 0.52 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 31 H 8.09 4.28 0.00 3.28 3.36 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.72 4.18 1.47 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 0.00 0.00 33 I 7.22 4.03 1.47 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.39 0.00 0.00 34 F 7.73 5.03 0.00 3.10 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 4.38 0.00 4.05 4.20 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 36 R 7.72 3.95 0.00 1.59 1.83 0.00 2.21 0.00 0.00 2.73 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 37 F 8.12 4.32 0.00 3.04 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 38 G 7.94 4.57 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 0.00 0.00 0.00 39 Q 8.48 4.74 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 40 I 8.24 4.33 1.74 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.35 0.70 0.00 0.00 41 L 8.97 4.08 0.00 1.59 1.71 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.41 4.64 0.00 2.66 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.95 1.87 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 1.20 0.74 0.87 0.00 0.00 44 L 8.93 4.57 0.00 1.79 1.71 0.90 0.72 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 45 V 8.37 4.77 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 0.80 0.00 0.00 0.97 0.00 0.00 46 S 8.77 4.72 0.00 3.88 3.68 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 47 R 8.47 4.61 0.00 1.76 1.86 0.00 3.32 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 48 S 7.51 4.44 0.00 4.13 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 49 L 8.61 3.91 0.00 1.62 1.77 0.93 0.60 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 50 K 7.96 4.37 0.00 1.80 1.88 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.54 7.81 51 M 7.31 4.87 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 52 R 7.48 4.24 0.00 1.94 2.17 0.00 3.17 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.55 0.00 53 G 8.93 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 54 Q 7.85 4.76 0.00 2.07 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.61 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 55 A 8.83 4.83 1.07 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 0.00 0.00 56 F 8.99 4.97 0.00 3.05 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 57 V 8.23 4.15 1.66 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 0.20 0.00 0.00 0.43 0.00 0.00 58 I 8.06 4.57 1.84 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 1.27 0.55 0.94 0.00 0.00 59 F 8.81 4.88 0.00 3.17 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 60 K 8.92 4.19 0.00 1.93 1.93 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.45 7.81 61 E 8.01 4.88 0.00 2.04 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 2.35 2.31 0.00 62 V 8.17 3.53 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 0.86 0.00 0.00 0.64 0.00 0.00 63 S 8.08 4.16 0.00 3.91 3.85 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 64 S 7.96 4.06 0.00 3.93 3.64 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 65 A 7.36 3.48 1.49 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 66 T 8.06 4.05 4.36 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 1.28 0.00 0.00 67 N 8.29 4.30 0.00 2.74 3.00 0.00 0.00 6.96 7.94 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 68 A 7.25 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.14 3.69 0.00 1.40 1.63 -0.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.31 3.71 0.00 1.93 1.95 0.00 3.20 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 1.64 1.84 0.00 71 S 7.77 4.37 0.00 3.95 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 72 M 7.80 4.55 0.00 1.79 2.05 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.39 0.00 73 Q 7.19 3.97 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 74 G 8.71 3.98 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 0.00 0.00 0.00 75 F 8.13 4.09 0.00 3.15 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 76 P 0.00 4.40 0.00 1.79 1.87 0.00 2.53 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 77 F 8.82 4.69 0.00 3.06 3.11 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 0.00 0.00 0.00 0.00 78 Y 8.51 3.33 0.00 2.95 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 79 D 8.10 4.70 0.00 2.85 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 80 K 7.66 4.84 0.00 1.66 1.69 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.38 7.81 81 P 0.00 4.80 0.00 2.10 2.12 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 82 M 8.70 4.54 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.63 0.00 83 R 8.48 4.89 0.00 1.89 2.00 0.00 3.08 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 84 I 8.24 4.91 1.79 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 0.78 0.77 0.00 0.00 85 Q 9.04 4.70 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 86 Y 8.33 4.75 0.00 2.95 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 87 A 8.71 4.36 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 88 K 9.09 4.10 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.01 7.81 89 T 7.43 4.83 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 1.21 0.00 0.00 90 D 8.41 4.56 0.00 2.68 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 91 S 8.34 4.39 0.00 3.86 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 92 D 8.53 4.38 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 3.80 1.85 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 0.73 0.90 0.00 0.00 94 I 7.60 3.83 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 0.74 0.00 0.00 95 A 7.86 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 96 K 7.57 4.15 0.00 1.79 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.