NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2179 8.4401 120.2306 56.2476 30.6056 175.5176 2 A 4.6561 7.6590 120.5067 49.6580 21.3367 174.6108 3 A 5.1869 8.4181 125.8054 53.1127 25.8241 173.4389 4 V 4.4540 8.0788 115.0565 60.3942 34.6663 176.5401 5 T 4.3803 8.5700 125.3895 63.7419 69.6440 173.5535 6 Q 4.9757 8.1277 123.6552 54.3947 31.9818 175.4146 7 S 4.5609 8.2658 113.6546 57.5330 67.7127 173.2908 8 P 4.8067 0.0000 0.0000 61.4845 32.1089 176.9820 9 R 4.1324 8.7085 122.0534 57.4291 30.1809 176.0992 10 N 4.5082 7.8178 111.8032 52.0439 40.1697 174.0825 11 K 4.4411 8.1477 122.8854 55.4100 36.3483 174.6637 12 V 4.7001 8.4916 126.5989 59.8106 30.7007 175.5587 13 A 4.1717 8.0631 127.1031 51.6791 18.7992 176.0499 14 V 4.4040 7.9319 115.2596 61.5509 34.1821 176.4621 15 T 4.4952 8.3899 115.3492 63.3892 67.8260 175.2001 16 G 3.9926 7.6920 111.1819 45.5763 0.0000 174.8861 17 G 3.6466 8.1843 109.7142 45.3609 0.0000 173.3094 18 K 3.8580 8.5123 125.8183 56.9287 32.8037 176.1762 19 V 4.3206 8.0673 125.0178 62.0651 34.9021 173.3034 20 T 4.6977 8.4425 124.8524 61.6050 70.9962 174.0771 21 L 4.1235 8.1559 127.9186 54.2216 42.3326 177.1231 22 S 5.2558 8.7431 122.6987 57.6557 60.5453 171.4857 23 C 4.8719 8.9619 121.0259 56.0811 44.1879 171.9769 24 N 5.1447 8.2741 126.8228 53.5321 41.5601 173.6007 25 Q 5.1550 8.5829 115.9251 57.3640 31.1973 174.3006 26 T 4.7112 7.4963 107.5314 60.6112 67.7944 174.1472 27 N 4.6683 7.9562 115.9201 52.6298 38.9588 174.5670 28 N 4.3156 8.1964 114.7268 54.1491 35.8450 173.3418 29 H 4.7113 7.6598 115.9440 55.2735 29.8062 175.5114 30 N 4.6952 8.6306 119.5970 53.7775 39.3069 174.0190 31 N 4.9396 7.8287 116.4737 51.6374 41.2101 173.9562 32 M 5.4482 6.9241 120.8288 54.0768 36.7957 173.3587 33 Y 5.5357 8.4465 118.1564 56.5433 43.4020 173.6596 34 W 5.5511 9.0401 119.4577 55.4938 32.9492 174.5830 35 Y 5.2321 10.4427 121.4290 56.3336 42.2922 174.9745 36 R 5.7261 9.4246 119.2194 55.0949 29.5309 173.3496 37 Q 5.0257 8.8767 123.6980 55.6695 31.0524 174.8469 38 D 4.4098 8.0332 123.3238 53.9119 43.9669 174.5481 39 T 4.1290 8.5273 117.6705 66.9658 67.1977 173.3102 40 G 3.9304 7.6221 121.0786 45.4226 0.0000 172.1384 41 H 4.7774 7.6563 116.2830 53.7407 31.3664 176.2776 42 G 3.7097 8.0003 109.0424 46.5587 0.0000 174.2775 43 L 4.7253 8.5015 126.8888 54.3732 42.9043 175.9781 44 R 4.9236 8.3021 124.2090 54.0925 33.8600 174.9145 45 L 3.1102 8.5613 124.9619 55.4405 42.9424 175.1219 46 I 4.3688 9.8758 123.6458 61.8877 38.4654 174.9568 47 H 5.0354 8.1016 117.7601 54.4694 34.0511 171.6205 48 Y 5.5826 8.4372 118.5073 55.6745 41.9828 173.4248 49 S 4.8079 8.0377 112.7466 56.8024 66.0144 172.9701 50 Y 4.6605 9.4367 118.1245 56.3367 39.2330 175.5841 51 G 4.0568 7.0576 108.2721 43.7247 0.0000 175.4451 52 A 3.9720 8.4344 131.3545 52.5700 18.3043 175.9767 53 G 3.8079 9.0892 114.1067 45.7322 0.0000 171.4155 54 S 4.6852 7.7373 114.2447 58.2673 65.8177 174.5446 55 T 4.8744 8.3638 121.5975 62.8111 71.9771 172.9996 56 E 4.7083 9.2322 126.1702 54.3022 33.7599 175.3036 57 K 4.4357 8.3254 120.5483 55.3555 33.5173 176.7889 58 G 4.4327 8.4542 107.7199 45.7614 0.0000 172.0677 59 D 4.4894 7.4257 116.5774 53.4254 44.1480 174.9479 60 I 4.2147 7.4681 132.6311 59.2946 36.5247 174.1452 61 P 4.3561 0.0000 0.0000 63.7117 32.2997 176.0768 62 D 4.2246 7.6686 119.0058 54.7087 41.8639 176.7489 63 G 3.6006 8.7543 111.3389 45.4940 0.0000 172.4568 *65 Y 5.0504 7.2479 114.5223 58.2340 39.6145 174.4562 66 K 4.4322 8.2545 119.6482 55.5139 36.1474 174.4568 67 A 4.8616 7.7313 128.0540 50.5101 22.6209 175.0734 68 S 4.3066 7.8684 106.5563 58.1289 66.3274 175.6576 69 R 4.8742 8.4853 126.1224 54.4044 29.0855 174.4610 70 P 4.5084 0.0000 0.0000 62.2296 31.0718 176.4035 71 S 5.0853 7.3795 114.6638 57.6881 63.2722 177.1989 72 Q 3.9982 7.9548 120.8287 58.0810 28.9973 175.9734 73 E 4.3458 7.0222 117.5153 56.3416 29.9604 174.8073 74 N 4.2736 7.1449 114.3947 52.7036 43.0758 174.4056 75 F 5.9655 6.7480 133.3185 59.1353 43.6868 172.1604 76 S 5.6762 8.0795 122.0040 55.4482 66.6187 172.8797 77 L 4.2910 8.1916 125.9391 53.6333 43.3633 175.0878 78 I 4.5898 8.2896 128.0122 60.3111 39.3428 175.3189 79 L 4.0412 7.9083 121.4182 55.7128 41.9296 174.7686 80 E 4.0212 8.9686 125.9890 59.0798 30.0557 177.8431 81 L 4.0407 7.4717 132.1925 55.0495 41.0248 176.8682 82 A 4.3841 8.0075 126.8284 51.1700 19.5095 176.5437 83 T 4.6506 7.8733 113.6048 59.1455 70.3791 173.2777 84 P 4.4080 0.0000 0.0000 65.5908 31.3898 178.1210 85 S 4.5361 7.9405 109.8376 58.6799 62.9421 174.5165 86 Q 4.3636 8.4653 120.4791 57.1165 28.8617 175.5805 87 T 4.3239 7.3567 115.9207 63.9556 68.8589 173.5646 88 S 4.6546 7.4704 122.0205 58.1536 68.3848 173.9531 89 V 4.5411 7.3043 117.7252 61.6002 34.3654 175.4409 90 Y 6.2182 8.2835 125.1947 56.1744 40.8926 174.8342 91 F 5.4597 9.4491 119.7388 56.1014 43.7996 172.2694 92 C 4.9354 8.7966 116.2974 53.6203 41.2125 172.8028 93 A 4.1425 9.2243 123.4902 50.3551 22.0072 174.9978 94 S 5.6956 8.2902 113.5330 55.8063 68.5117 173.9533 95 G 4.1472 7.6990 107.2384 44.6818 0.0000 173.2272 96 G 4.3234 7.9816 105.9674 42.8923 0.0000 171.6037 97 G 4.3626 8.6540 116.7079 45.2327 0.0000 173.2773 98 G 3.9613 7.8379 106.5482 45.5330 0.0000 172.6541 *105 T 4.7267 7.1654 115.0845 61.9601 67.1721 172.8045 106 L 4.5509 7.8019 124.4528 53.4162 42.8833 176.9598 107 Y 4.5487 8.4336 118.1314 56.3744 39.3295 175.4194 108 F 4.5751 8.8208 124.6525 56.7852 40.6481 176.3519 109 G 4.4891 8.6450 104.8344 45.4468 0.0000 172.4079 110 A 4.2593 7.5444 118.5713 53.3656 22.7120 174.1758 111 G 3.3642 7.9030 104.6339 45.3383 0.0000 171.3212 112 T 4.6766 7.9213 107.4663 61.0378 70.7394 172.8030 113 R 4.6999 8.4102 115.3127 55.4568 33.2581 173.4256 114 L 4.9827 8.4185 121.1247 53.4279 45.3554 175.4608 115 S 4.8592 8.5875 119.8818 56.5191 63.5068 172.2883 116 V 3.9977 7.8605 121.0380 60.6989 33.8007 175.7897 *316 L 4.4002 8.2690 124.1523 55.5029 42.0999 176.3042 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 E 8.44 4.22 0.00 1.99 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 2.23 2.27 0.00 2 A 7.66 4.66 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 3 A 8.42 5.19 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 4 V 8.08 4.45 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 1.10 0.00 0.00 0.79 0.00 0.00 5 T 8.57 4.38 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 6 Q 8.13 4.98 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 7 S 8.27 4.56 0.00 3.74 3.73 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 8 P 0.00 4.81 0.00 2.44 2.19 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 9 R 8.71 4.13 0.00 1.83 2.03 0.00 3.25 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 10 N 7.82 4.51 0.00 2.68 2.74 0.00 0.00 6.63 6.88 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 11 K 8.15 4.44 0.00 1.99 1.64 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 12 V 8.49 4.70 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 1.15 0.00 0.00 0.93 0.00 0.00 13 A 8.06 4.17 1.27 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 0.00 0.00 14 V 7.93 4.40 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 1.02 0.00 0.00 0.92 0.00 0.00 15 T 8.39 4.50 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 16 G 7.69 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 G 8.18 3.65 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 0.00 0.00 0.00 18 K 8.51 3.86 0.00 1.70 1.71 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.67 7.81 19 V 8.07 4.32 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 0.84 0.00 0.00 0.97 0.00 0.00 20 T 8.44 4.70 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 1.17 0.00 0.00 21 L 8.16 4.12 0.00 1.19 1.62 0.28 1.19 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 22 S 8.74 5.26 0.00 3.93 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 23 C 8.96 4.87 0.00 3.25 3.46 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 0.00 0.00 0.00 0.00 24 N 8.27 5.14 0.00 2.81 2.76 0.00 0.00 6.20 7.61 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 25 Q 8.58 5.16 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.44 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 26 T 7.50 4.71 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 1.21 0.00 0.00 27 N 7.96 4.67 0.00 2.25 2.77 0.00 0.00 6.41 8.04 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 28 N 8.20 4.32 0.00 2.71 2.92 0.00 0.00 7.00 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 29 H 7.66 4.71 0.00 3.16 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.63 4.70 0.00 2.84 3.01 0.00 0.00 7.49 6.92 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 31 N 7.83 4.94 0.00 2.91 2.82 0.00 0.00 6.61 7.22 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 32 M 6.92 5.45 0.00 0.80 0.60 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 33 Y 8.45 5.54 0.00 3.23 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 34 W 9.04 5.55 0.00 3.39 2.87 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 35 Y 10.44 5.23 0.00 3.21 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 36 R 9.42 5.73 0.00 2.09 1.90 0.00 3.50 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 37 Q 8.88 5.03 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.41 0.00 0.00 0.00 0.00 0.00 2.30 2.12 0.00 38 D 8.03 4.41 0.00 2.76 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 39 T 8.53 4.13 4.25 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 1.21 0.00 0.00 40 G 7.62 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.66 4.78 0.00 3.12 3.35 0.00 6.01 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 42 G 8.00 3.71 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 0.00 0.00 0.00 43 L 8.50 4.73 0.00 1.51 1.54 0.95 0.24 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 44 R 8.30 4.92 0.00 2.01 2.01 0.00 3.33 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 45 L 8.56 3.11 0.00 1.33 1.40 0.51 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.88 4.37 1.88 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.56 0.00 0.00 47 H 8.10 5.04 0.00 3.11 3.14 0.00 5.75 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.44 5.58 0.00 2.59 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 49 S 8.04 4.81 0.00 3.82 2.99 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 50 Y 9.44 4.66 0.00 3.01 2.87 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 51 G 7.06 4.06 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 0.00 0.00 0.00 52 A 8.43 3.97 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 53 G 9.09 3.81 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 0.00 54 S 7.74 4.69 0.00 3.90 3.73 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 55 T 8.36 4.87 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 1.25 0.00 0.00 56 E 9.23 4.71 0.00 1.60 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 57 K 8.33 4.44 0.00 1.55 1.61 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.34 7.81 58 G 8.45 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 59 D 7.43 4.49 0.00 2.58 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 60 I 7.47 4.21 1.84 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 1.37 0.80 1.04 0.00 0.00 61 P 0.00 4.36 0.00 2.17 2.03 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 62 D 7.67 4.22 0.00 2.72 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 63 G 8.75 3.60 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 0.00 0.00 0.00 *65 Y 7.25 5.05 0.00 2.93 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 66 K 8.25 4.43 0.00 1.69 1.72 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.33 7.81 67 A 7.73 4.86 1.04 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 68 S 7.87 4.31 0.00 3.90 3.90 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 69 R 8.49 4.87 0.00 2.26 1.96 0.00 3.36 0.00 0.00 3.41 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 70 P 0.00 4.51 0.00 2.12 2.11 0.00 4.00 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 71 S 7.38 5.09 0.00 4.12 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 72 Q 7.95 4.00 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 73 E 7.02 4.35 0.00 2.18 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 2.26 2.40 0.00 74 N 7.14 4.27 0.00 2.59 2.78 0.00 0.00 6.99 7.45 0.00 0.00 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 6.75 5.97 0.00 2.99 2.97 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 76 S 8.08 5.68 0.00 3.73 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 77 L 8.19 4.29 0.00 0.68 0.33 0.31 0.63 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 78 I 8.29 4.59 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.37 0.90 0.00 0.00 79 L 7.91 4.04 0.00 1.44 1.62 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.97 4.02 0.00 1.91 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 2.28 2.32 0.00 81 L 7.47 4.04 0.00 1.56 1.56 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.01 4.38 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 83 T 7.87 4.65 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 P 0.00 4.41 0.00 2.21 2.10 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 85 S 7.94 4.54 0.00 4.02 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 86 Q 8.47 4.36 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 87 T 7.36 4.32 4.25 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 1.20 0.00 0.00 88 S 7.47 4.65 0.00 3.79 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.30 4.54 2.33 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 1.29 0.00 0.00 1.00 0.00 0.00 90 Y 8.28 6.22 0.00 2.96 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 91 F 9.45 5.46 0.00 3.12 3.13 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 0.00 0.00 0.00 92 C 8.80 4.94 0.00 1.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.22 4.14 1.54 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 94 S 8.29 5.70 0.00 3.72 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 95 G 7.70 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 0.00 0.00 0.00 0.00 96 G 7.98 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 0.00 0.00 0.00 0.00 97 G 8.65 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 0.00 0.00 0.00 0.00 98 G 7.84 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 *105 T 7.17 4.73 4.31 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 1.32 0.00 0.00 106 L 7.80 4.55 0.00 2.02 2.05 1.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.43 4.55 0.00 2.96 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 0.00 108 F 8.82 4.58 0.00 3.08 3.10 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 0.00 0.00 0.00 0.00 109 G 8.65 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 0.00 0.00 0.00 0.00 110 A 7.54 4.26 1.27 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 0.00 0.00 111 G 7.90 3.36 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 0.00 112 T 7.92 4.68 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 1.25 0.00 0.00 113 R 8.41 4.70 0.00 1.94 2.02 0.00 2.90 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 114 L 8.42 4.98 0.00 1.95 1.51 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.59 4.86 0.00 3.88 3.93 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 0.00 0.00 0.00 116 V 7.86 4.00 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 0.74 0.00 0.00 0.98 0.00 0.00 *316 L 8.27 4.40 0.00 1.66 1.59 0.92 0.96 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 * Residues marked with a * may have inaccurate shift predictions.