NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8192 8.2833 118.0914 53.3629 40.3454 172.0253 3 I 4.8405 8.2516 125.6678 59.2346 39.1884 173.4423 4 N 5.5702 10.5282 126.3262 51.6079 42.6530 174.0196 5 I 4.8755 8.6983 121.4736 59.8734 41.0674 174.6287 6 V 4.6464 9.1262 129.4647 61.8402 32.6720 174.9703 7 T 5.7346 9.0272 117.6427 59.0195 72.8168 172.4073 8 I 4.3225 8.3177 122.2762 60.6701 38.6313 174.9046 9 G 4.1074 9.2535 118.3081 45.5368 0.0000 173.4945 10 K 4.9463 8.2192 121.4219 54.9983 32.9021 176.7788 11 L 3.9965 8.4561 124.3350 55.0375 41.4125 176.7514 12 K 4.1404 8.0107 127.5050 58.4687 31.2957 177.4378 13 E 4.0641 7.9249 116.6776 56.9703 30.0898 177.8998 14 K 4.2932 8.5651 120.2873 58.6129 33.5651 178.5200 15 Y 4.1274 8.0166 119.0639 60.1702 37.9164 178.2771 16 L 3.7410 6.5463 120.1649 56.8393 41.5520 179.0651 17 K 3.8306 7.1341 119.0259 59.5953 32.2496 178.8041 18 Q 4.1557 8.3386 117.4645 58.4112 28.1965 178.4459 19 G 3.5624 7.9319 108.0803 47.7959 0.0000 175.8589 20 I 3.8682 7.6643 122.1777 64.2749 37.1245 178.4543 21 E 3.7164 7.9658 119.5250 59.1143 28.8584 178.7643 22 E 3.7043 7.9032 119.5339 59.4711 29.5130 178.4965 23 Y 4.0897 7.3256 115.2895 60.9025 38.4374 177.9227 24 T 3.9084 8.6467 117.3319 66.5975 68.2013 176.2588 25 K 3.8960 7.9612 121.3514 59.3837 32.1370 178.7735 26 R 3.9680 7.5075 116.6878 59.1747 29.2427 178.5796 27 L 4.1540 8.2127 121.4652 57.8242 41.9688 178.6381 28 S 5.1281 7.9768 113.3707 59.8196 62.8508 175.2094 29 A 4.1792 7.0041 122.0738 52.8697 18.7400 176.9349 30 Y 4.7106 7.5565 112.8481 57.2020 40.3967 175.0261 31 A 4.2721 7.1979 120.2699 51.4301 21.6651 175.1201 32 K 4.7161 8.0723 122.1807 55.2220 31.8454 174.6142 33 I 4.7149 7.9346 118.7909 59.6484 39.6999 175.1187 34 D 4.7874 9.1388 123.9311 52.9082 45.1896 174.2232 35 I 4.6836 8.5106 124.2763 60.0273 38.8260 175.0902 36 I 4.3494 9.0212 129.3446 59.8698 38.8174 174.6268 37 E 5.0250 8.6841 126.9687 54.9370 31.7869 175.3067 38 L 5.1446 8.1960 122.3732 51.8909 46.0522 174.2767 39 P 4.7040 0.0000 0.0000 63.0117 31.7855 175.5098 40 D 4.9949 8.6445 121.9309 51.4423 42.3943 174.6828 41 E 4.5762 8.3867 119.1581 54.4481 30.8267 176.9655 42 K 3.7794 8.8141 123.7523 58.9279 32.4517 177.4233 *50 Q 4.3357 7.8893 115.5232 55.2921 30.3718 175.3021 51 D 4.5750 8.0112 116.0444 54.9999 43.5153 176.2120 *53 K 4.2382 7.6461 116.9936 55.7704 33.0447 174.4735 54 I 4.6558 7.0881 117.9601 61.5028 44.5391 178.1349 55 I 3.7186 7.9351 121.0027 64.2916 37.0383 177.8259 56 K 3.9046 8.1145 119.8934 59.9897 31.7273 178.1177 57 D 4.4171 8.0178 118.1763 56.6473 40.8486 178.4602 58 K 3.9854 7.8003 120.1586 59.4078 32.1599 178.7829 59 E 4.1541 8.8527 119.3483 58.8290 29.1787 179.6470 60 G 3.5450 7.7412 106.2098 48.0881 0.0000 175.6932 61 D 4.3707 7.8630 122.2657 56.4546 40.4919 179.0081 62 R 3.8542 7.6406 118.8065 59.4291 30.3749 178.2469 63 I 3.8453 7.9026 119.7911 64.6036 37.1725 178.3435 64 L 3.9714 8.2216 119.9091 58.0269 41.2148 179.4866 65 S 4.3924 7.8626 112.7882 59.9328 62.7954 174.9127 66 K 4.4399 7.8409 119.9643 55.7856 32.3636 175.7089 67 I 4.3787 7.3518 120.8333 59.0342 38.8043 175.6309 68 S 4.2574 8.4868 120.5831 57.5024 62.8897 173.2617 69 P 4.3039 0.0000 0.0000 65.0532 31.2310 176.8450 70 D 4.7921 7.8778 115.3317 52.8712 39.5111 175.7132 71 A 4.7216 7.5854 121.0425 51.5102 20.7374 177.3061 72 H 4.6059 9.5125 121.8868 55.5263 31.1621 174.2265 73 V 4.3792 9.0042 127.5272 61.6507 33.3202 174.5767 74 I 4.6964 8.3980 129.2427 59.5441 39.2806 174.5170 75 A 4.8735 8.8254 130.0852 50.8371 20.6771 175.8247 76 L 4.9820 8.4174 121.6255 53.9553 42.9251 176.5369 77 A 4.7216 9.1870 125.1540 50.7139 22.5138 177.3687 78 I 3.8955 8.9873 115.6505 62.4994 37.9083 176.3322 79 E 4.4726 8.1517 118.5027 56.2584 29.8107 175.8255 80 G 4.1504 7.5468 108.5070 45.2158 0.0000 175.3568 81 K 4.4968 8.1422 124.0134 56.3721 34.4742 176.7291 *83 K 4.6296 8.5529 125.7895 57.8285 33.9250 175.1043 84 T 4.4518 7.8109 110.9978 59.9775 71.2914 175.8737 85 S 4.0882 8.4213 116.5381 61.7452 62.4039 176.7742 86 E 3.9490 7.9810 119.9222 59.5032 29.7281 178.8040 87 E 4.0553 8.1717 118.6315 59.1196 29.4560 179.2167 88 L 3.9886 7.9556 120.3966 57.4423 42.4317 177.3876 89 A 4.5531 8.2362 120.5422 51.6842 18.8582 176.9766 90 D 4.6059 7.5302 120.4346 56.0155 47.3800 177.1879 91 T 3.7607 7.9090 115.5116 66.7959 68.4586 176.9784 92 I 3.6989 7.7103 121.4822 63.9774 37.0044 178.1184 93 D 4.1787 7.6589 118.7948 57.1540 41.2326 178.2749 94 K 3.8203 8.0196 119.0497 59.2182 31.8415 179.3570 95 L 3.8619 7.7804 119.2189 57.4339 41.4652 179.3996 96 A 3.9983 7.5119 120.3916 55.4877 18.2191 179.8788 97 T 4.0550 7.5757 105.9278 64.4036 68.9223 175.2903 98 Y 4.6690 7.8751 118.1651 57.3372 38.0338 175.9983 99 G 3.8658 7.8388 107.4960 45.9822 0.0000 175.0437 100 K 4.2757 8.1830 120.2526 55.6257 30.6077 176.9777 101 S 4.2091 8.5649 119.5464 60.0281 63.6745 174.6439 102 K 4.6410 7.9853 121.1002 54.6934 33.7210 175.4959 103 V 4.7264 8.9444 126.5456 61.2582 34.0684 174.3202 104 T 5.0813 8.7645 124.5697 61.8604 71.4192 173.0139 105 F 5.2166 9.8007 126.2986 55.7393 41.7576 175.1532 106 V 4.9706 8.5874 122.1661 60.0525 34.1937 174.3249 107 I 4.6582 8.5990 126.7652 59.2808 39.4172 176.2962 108 G 3.9811 8.7609 114.8989 45.8020 0.0000 172.1747 109 G 4.0186 8.0090 108.0155 44.3427 0.0000 174.1793 110 S 4.4123 8.6935 114.4598 61.8337 62.8061 175.7732 111 L 4.0026 7.7041 119.1660 57.5589 41.9833 178.5516 112 G 3.6968 6.1501 105.6260 44.4552 0.0000 171.5887 113 L 4.6668 7.9645 120.9316 52.6252 43.9391 176.6969 114 S 4.4674 8.3309 117.6206 57.5802 64.1518 174.7622 115 D 4.3939 8.6973 120.6297 57.7037 40.2756 178.5973 116 T 3.9611 7.9557 108.7268 64.4849 69.0051 174.7444 117 V 3.7875 7.5551 121.1375 63.2271 31.5559 177.6792 *119 K 4.2726 8.0651 119.3347 55.8549 33.9159 177.4470 120 R 3.9295 7.6141 117.3271 58.5782 30.1996 176.8365 121 A 3.9186 7.7694 120.4564 53.2138 18.4369 177.0030 122 D 4.6130 8.6096 123.1370 56.1919 41.6053 176.2878 123 E 4.7427 7.7342 117.7486 54.9470 33.5049 173.5486 124 K 5.0381 8.6328 123.6126 54.4864 35.4620 174.5701 125 L 5.2070 9.3965 127.1620 53.2692 44.8926 174.8094 126 S 5.2858 9.1336 120.3147 56.8811 64.8438 174.3739 127 F 4.3889 8.9818 123.9797 58.0524 40.0522 175.3217 128 S 4.5856 7.3222 112.1989 57.7969 64.5397 175.0989 129 K 4.1975 8.4134 121.0291 57.0594 31.9214 177.4592 *131 T 3.9207 7.8028 114.2128 63.3737 69.6136 173.6496 132 F 5.3737 8.2120 123.6076 54.8338 42.2150 173.6463 133 P 4.5138 0.0000 0.0000 62.5115 31.9079 177.3302 134 H 4.3336 8.8013 117.1836 58.9037 28.9192 176.9340 135 Q 4.0823 7.8051 118.8494 58.6333 28.9099 178.9302 136 L 4.3936 7.3511 119.2555 54.7756 41.6061 178.8085 *138 R 4.1093 8.1978 118.4174 55.8607 31.9528 176.9421 139 L 3.9816 7.3641 118.3858 58.0665 41.9102 179.0073 140 I 3.6851 7.6747 120.0079 63.9413 36.9875 178.0089 141 L 3.8396 7.6041 120.7129 58.1087 41.9781 178.8684 142 V 3.4687 7.4703 117.9125 66.0270 31.3870 177.3398 143 E 3.0195 7.7366 118.8080 59.1721 29.2431 178.5994 144 Q 3.9995 8.1947 119.4052 59.3900 29.1747 178.2999 145 I 3.7772 8.4375 121.1014 64.3512 37.0299 177.9266 146 Y 4.0795 8.0857 120.5966 60.7200 38.8453 177.4962 147 R 3.7392 8.4242 119.8108 59.3541 29.9586 178.3834 148 A 3.9231 8.2021 120.8211 55.1398 18.5322 179.6941 149 F 3.6793 8.0354 115.6883 60.2219 38.5909 178.3233 150 R 3.6148 7.3467 117.3449 59.1984 29.9467 178.7156 151 I 3.8245 7.2233 117.7740 64.4217 37.1390 177.9139 152 N 4.3448 8.0242 116.5679 57.4915 38.7604 176.0117 153 R 4.5308 7.6653 118.4720 55.2257 33.9077 176.2096 154 G 3.9601 8.2762 108.0170 46.0242 0.0000 173.7832 155 E 4.0853 7.8997 120.7229 55.5049 29.9398 175.0299 156 P 4.5113 0.0000 0.0000 62.8548 32.4335 175.6540 157 Y 4.3191 8.2976 120.3140 58.6553 38.7413 173.3082 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 2 N 8.28 4.82 0.00 3.01 2.91 0.00 0.00 6.89 6.46 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 3 I 8.25 4.84 2.00 0.00 0.00 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 1.46 1.11 1.20 0.00 0.00 4 N 10.53 5.57 0.00 2.67 2.74 0.00 0.00 6.31 7.90 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 5 I 8.70 4.88 1.91 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 1.22 1.03 0.94 0.00 0.00 6 V 9.13 4.65 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 0.98 0.00 0.00 0.96 0.00 0.00 7 T 9.03 5.73 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 1.22 0.00 0.00 8 I 8.32 4.32 1.79 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 1.42 0.90 0.85 0.00 0.00 9 G 9.25 4.11 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 0.00 0.00 0.00 10 K 8.22 4.95 0.00 1.74 1.74 0.00 1.69 0.00 0.00 2.29 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.54 7.81 11 L 8.46 4.00 0.00 1.54 1.55 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.01 4.14 0.00 1.80 1.78 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.42 7.81 13 E 7.92 4.06 0.00 2.18 2.18 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 1.99 1.92 0.00 14 K 8.57 4.29 0.00 1.99 2.10 0.00 1.54 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.54 7.81 15 Y 8.02 4.13 0.00 3.20 3.25 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 16 L 6.55 3.74 0.00 1.19 1.47 0.65 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.13 3.83 0.00 1.81 1.90 0.00 1.47 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 18 Q 8.34 4.16 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 19 G 7.93 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.66 3.87 2.00 0.00 0.00 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 1.52 1.01 0.92 0.00 0.00 21 E 7.97 3.72 0.00 1.92 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 2.30 2.50 0.00 22 E 7.90 3.70 0.00 2.01 1.81 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 1.83 1.61 0.00 23 Y 7.33 4.09 0.00 3.15 2.88 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 24 T 8.65 3.91 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 1.20 0.00 0.00 25 K 7.96 3.90 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.38 7.81 26 R 7.51 3.97 0.00 2.35 2.12 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.41 0.00 27 L 8.21 4.15 0.00 2.12 1.70 1.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.98 5.13 0.00 4.04 4.03 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 29 A 7.00 4.18 0.92 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 0.00 0.00 30 Y 7.56 4.71 0.00 2.39 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 31 A 7.20 4.27 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 32 K 8.07 4.72 0.00 1.82 1.74 0.00 1.79 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.37 7.81 33 I 7.93 4.71 1.91 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 1.34 0.76 0.91 0.00 0.00 34 D 9.14 4.79 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 4.68 1.87 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 1.35 0.54 0.91 0.00 0.00 36 I 9.02 4.35 1.89 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 1.24 0.64 0.92 0.00 0.00 37 E 8.68 5.03 0.00 1.91 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 2.32 2.32 0.00 38 L 8.20 5.14 0.00 1.49 1.50 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.70 0.00 1.93 1.99 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 40 D 8.64 4.99 0.00 2.72 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 41 E 8.39 4.58 0.00 1.96 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 2.23 2.25 0.00 42 K 8.81 3.78 0.00 1.74 1.90 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 *50 Q 7.89 4.34 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 51 D 8.01 4.58 0.00 2.61 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 *53 K 7.65 4.24 0.00 1.81 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 54 I 7.09 4.66 1.87 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 1.41 0.84 0.91 0.00 0.00 55 I 7.94 3.72 1.87 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 1.52 0.52 0.91 0.00 0.00 56 K 8.11 3.90 0.00 1.81 1.82 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.63 7.81 57 D 8.02 4.42 0.00 2.86 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 58 K 7.80 3.99 0.00 1.99 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 59 E 8.85 4.15 0.00 1.99 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 2.32 2.60 0.00 60 G 7.74 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 61 D 7.86 4.37 0.00 2.65 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 62 R 7.64 3.85 0.00 2.02 2.13 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 63 I 7.90 3.85 2.06 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 1.52 0.72 0.91 0.00 0.00 64 L 8.22 3.97 0.00 1.82 1.73 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.86 4.39 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 66 K 7.84 4.44 0.00 1.83 1.81 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.52 7.81 67 I 7.35 4.38 1.97 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 1.19 0.78 0.90 0.00 0.00 68 S 8.49 4.26 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 69 P 0.00 4.30 0.00 2.08 2.11 0.00 3.71 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 2.08 0.00 70 D 7.88 4.79 0.00 2.80 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 71 A 7.59 4.72 1.32 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 72 H 9.51 4.61 0.00 3.17 3.17 0.00 5.57 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.00 4.38 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 0.92 0.00 0.00 0.94 0.00 0.00 74 I 8.40 4.70 1.17 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.81 0.92 0.00 0.00 75 A 8.83 4.87 1.23 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 0.00 0.00 0.00 76 L 8.42 4.98 0.00 1.71 1.62 1.10 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 A 9.19 4.72 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 78 I 8.99 3.90 1.95 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 1.73 0.83 0.00 0.00 79 E 8.15 4.47 0.00 2.09 2.06 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 2.22 2.24 0.00 80 G 7.55 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 81 K 8.14 4.50 0.00 1.91 1.64 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 *83 K 8.55 4.63 0.00 1.60 1.75 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 84 T 7.81 4.45 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 1.22 0.00 0.00 85 S 8.42 4.09 0.00 3.87 3.95 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 86 E 7.98 3.95 0.00 1.88 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 2.29 2.43 0.00 87 E 8.17 4.06 0.00 2.15 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 2.28 0.00 88 L 7.96 3.99 0.00 1.90 1.73 0.96 0.90 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 89 A 8.24 4.55 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 90 D 7.53 4.61 0.00 2.81 2.68 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 91 T 7.91 3.76 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 1.19 0.00 0.00 92 I 7.71 3.70 1.60 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 1.47 0.99 0.59 0.00 0.00 93 D 7.66 4.18 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 3.82 0.00 1.69 1.27 0.00 1.54 0.00 0.00 1.38 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.45 7.81 95 L 7.78 3.86 0.00 1.62 1.64 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.51 4.00 1.42 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 0.00 0.00 97 T 7.58 4.06 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 1.23 0.00 0.00 98 Y 7.88 4.67 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.84 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 0.00 0.00 0.00 100 K 8.18 4.28 0.00 1.91 1.83 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.46 7.81 101 S 8.56 4.21 0.00 4.01 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 0.00 102 K 7.99 4.64 0.00 1.74 1.81 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.43 7.81 103 V 8.94 4.73 2.16 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 0.84 0.00 0.00 0.96 0.00 0.00 104 T 8.76 5.08 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 1.24 0.00 0.00 105 F 9.80 5.22 0.00 3.02 2.93 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 0.00 106 V 8.59 4.97 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 0.80 0.00 0.00 0.94 0.00 0.00 107 I 8.60 4.66 1.87 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 1.14 0.66 0.91 0.00 0.00 108 G 8.76 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 0.00 109 G 8.01 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 0.00 0.00 0.00 110 S 8.69 4.41 0.00 3.89 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 0.00 111 L 7.70 4.00 0.00 1.62 1.69 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 G 6.15 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 0.00 113 L 7.96 4.67 0.00 1.62 1.57 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.33 4.47 0.00 4.17 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 0.00 115 D 8.70 4.39 0.00 2.68 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 0.00 116 T 7.96 3.96 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 0.00 117 V 7.56 3.79 2.20 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 0.95 0.00 0.00 0.93 0.00 0.00 *119 K 8.07 4.27 0.00 1.81 1.89 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.63 7.81 120 R 7.61 3.93 0.00 1.84 2.10 0.00 3.32 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 121 A 7.77 3.92 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 0.00 122 D 8.61 4.61 0.00 2.42 2.68 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 0.00 123 E 7.73 4.74 0.00 2.00 1.65 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 2.29 2.33 0.00 124 K 8.63 5.04 0.00 1.72 1.69 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.39 7.81 125 L 9.40 5.21 0.00 1.82 1.76 1.46 0.82 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 0.00 126 S 9.13 5.29 0.00 4.23 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 0.00 127 F 8.98 4.39 0.00 3.14 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 0.00 128 S 7.32 4.59 0.00 3.90 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 0.00 129 K 8.41 4.20 0.00 1.76 1.78 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.39 7.81 *131 T 7.80 3.92 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 1.21 0.00 0.00 132 F 8.21 5.37 0.00 2.99 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 0.00 133 P 0.00 4.51 0.00 2.18 1.97 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 134 H 8.80 4.33 0.00 3.29 3.47 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.81 4.08 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.29 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 136 L 7.35 4.39 0.00 1.77 1.78 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *138 R 8.20 4.11 0.00 1.87 2.03 0.00 3.19 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 139 L 7.36 3.98 0.00 1.90 1.78 1.04 1.14 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 0.00 140 I 7.67 3.69 1.76 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.46 1.15 0.00 0.00 141 L 7.60 3.84 0.00 1.41 1.64 0.24 0.63 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 0.00 142 V 7.47 3.47 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 1.00 0.00 0.00 0.92 0.00 0.00 143 E 7.74 3.02 0.00 1.34 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 1.61 2.16 0.00 144 Q 8.19 4.00 0.00 2.60 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 145 I 8.44 3.78 2.04 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 1.18 0.00 0.00 146 Y 8.09 4.08 0.00 3.08 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 0.00 147 R 8.42 3.74 0.00 2.15 2.19 0.00 3.41 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 148 A 8.20 3.92 1.31 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 0.00 0.00 149 F 8.04 3.68 0.00 2.95 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 0.00 150 R 7.35 3.61 0.00 1.75 1.84 0.00 3.01 0.00 0.00 2.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.78 0.00 151 I 7.22 3.82 1.91 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 1.53 0.67 0.87 0.00 0.00 152 N 8.02 4.34 0.00 2.59 2.71 0.00 0.00 7.06 8.17 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 0.00 153 R 7.67 4.53 0.00 1.61 1.81 0.00 2.62 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 154 G 8.28 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 0.00 155 E 7.90 4.09 0.00 1.92 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 2.37 2.29 0.00 156 P 0.00 4.51 0.00 2.23 2.08 0.00 3.87 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 2.06 1.99 0.00 157 Y 8.30 4.32 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.