NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6248 8.2233 120.1961 53.8262 42.7258 176.0073 3 D 4.2615 8.5461 119.5830 56.4430 40.5034 177.2948 4 R 3.8966 8.7780 119.6485 59.3800 30.4701 178.0166 5 L 3.9450 7.9179 119.5944 57.9949 41.9297 178.3774 6 F 4.1330 7.7394 119.0677 61.5423 39.4518 176.9545 7 R 3.9445 8.2057 116.4037 59.2225 29.9386 178.4277 8 N 4.4110 8.2380 115.2356 56.1868 38.8658 178.5017 9 A 4.0592 7.9184 119.8924 52.5854 18.5118 179.2223 *11 G 3.7623 8.1221 110.4893 46.7244 0.0000 175.5105 12 K 3.9053 7.7995 117.9880 57.5531 32.2666 176.7362 13 F 4.6602 7.9909 121.3319 56.3405 38.9530 174.8083 14 A 4.6781 8.1107 130.4989 52.4274 19.1142 176.0754 15 T 4.5495 8.7882 109.9440 60.0690 73.1576 174.2153 16 G 4.0019 8.4556 108.8313 45.1051 0.0000 172.5298 17 V 4.7965 8.3211 118.2143 61.4258 35.1147 175.1013 18 T 5.0881 8.9136 116.8446 59.8403 72.6354 172.5810 19 V 4.4649 8.4262 122.1423 61.1147 34.1694 174.3342 20 I 4.7181 8.1890 128.8307 60.7161 38.6537 174.8507 21 T 5.1546 8.7942 116.6119 60.4694 72.3495 172.6185 22 T 4.8553 8.7819 116.8742 61.1913 71.8729 171.4818 23 E 5.0426 8.5560 123.7479 54.1912 32.1222 174.8318 24 L 4.3982 8.7631 127.8094 53.8337 44.0578 175.1055 25 N 4.2482 9.8875 125.4321 53.9176 35.8265 172.9818 26 G 4.2429 8.2464 109.4072 45.4616 0.0000 172.5881 27 A 4.0494 7.3820 122.7279 51.3573 19.0042 176.2013 28 V 4.2713 8.0055 123.2325 62.2356 32.5909 174.8290 29 H 5.0131 9.3067 125.0348 54.2007 32.2127 173.3315 30 G 4.4178 8.4661 107.7664 44.6907 0.0000 171.2401 *32 T 4.4101 8.4021 114.7849 63.3765 69.7021 173.5929 33 A 4.7157 8.8854 128.4010 50.6548 22.2507 175.9825 34 N 4.9105 8.7432 117.1977 52.7320 39.2100 175.7354 35 A 4.4051 7.7260 124.0473 51.0808 16.8581 175.2051 36 F 5.5533 7.6184 122.5160 54.5369 43.5540 173.4517 *38 S 4.0393 8.3064 115.5757 58.1418 62.9750 171.9861 39 V 4.1701 8.5955 125.8130 63.8910 33.1407 175.5319 40 S 4.6408 7.4663 112.6496 56.6218 65.5469 173.9321 41 L 4.0285 8.6262 127.9715 56.7428 42.3632 176.2305 42 N 4.8066 7.7759 116.6666 50.4825 39.8170 172.2279 43 P 4.4767 0.0000 0.0000 61.5890 32.6752 176.6617 44 K 4.5255 8.3757 117.5523 56.3803 32.1219 176.2345 45 L 5.3526 9.0198 125.4614 52.9021 45.7483 175.9701 46 V 4.8546 8.8199 120.4110 61.5845 35.9804 173.4717 47 L 5.5000 8.1108 123.9206 53.5322 45.6815 174.8231 48 V 4.8934 8.8806 123.9074 59.9602 35.2747 174.1402 49 S 5.1836 8.7656 116.8565 56.7676 64.4570 173.1111 50 I 4.6389 8.8527 128.3987 59.0772 40.2137 175.6291 51 G 3.7101 8.5982 113.8884 45.8453 0.0000 174.4916 52 E 4.1257 8.7957 121.3790 58.5341 29.6740 178.1273 53 K 4.2211 7.8569 116.3166 56.4600 32.7846 176.5093 54 A 4.2447 7.6900 123.3927 51.4894 18.6952 179.8083 55 K 4.0395 8.5008 125.2191 55.9360 31.7357 179.1407 *57 L 4.3479 8.0554 120.9579 55.1180 44.0607 178.2790 58 E 4.3083 7.9159 117.8413 58.7017 29.4646 178.8443 59 K 3.8402 7.6663 119.0773 59.5642 32.1191 179.3170 60 I 3.6993 7.3314 120.6483 63.6456 36.6611 178.0738 61 Q 4.1718 8.0886 118.9769 59.2374 28.3275 179.4049 62 Q 4.0237 7.9666 117.9285 59.0544 28.9023 178.5476 63 S 4.2241 8.2780 114.9388 58.9731 63.0626 174.7751 64 K 4.1530 8.5614 121.3705 56.4178 30.1379 174.2991 65 K 5.0600 7.3716 115.5885 56.3796 35.8094 174.3474 66 Y 5.0502 8.2726 117.2739 56.2529 41.5873 173.0000 67 A 5.1670 9.1286 122.9527 50.2671 22.6405 175.5059 68 V 4.3473 8.9732 120.8865 61.2869 33.8571 174.3970 69 N 5.0834 8.8842 126.8136 51.5098 40.2515 174.1393 70 I 4.2269 8.3672 126.3812 60.9495 38.5859 175.6375 71 L 4.9589 9.0224 128.2323 54.0217 43.3468 177.0197 72 S 4.7334 9.1701 118.3851 57.5642 64.2562 174.8396 73 Q 3.9562 8.9164 122.3108 59.3250 28.6713 177.3668 74 D 4.7475 8.0065 115.2526 54.4623 41.0533 176.4729 75 Q 4.6087 7.8080 118.0729 55.3339 29.6700 177.4780 76 K 3.4670 8.3000 121.6920 59.5147 32.2517 178.0710 77 V 3.6685 7.6826 116.9049 65.8419 31.9168 176.8309 78 L 4.1120 8.0465 119.3457 58.0871 41.4468 179.5385 79 S 4.3200 8.0099 109.7729 59.5716 62.4929 175.1143 *81 N 4.4866 8.2286 117.5096 53.4090 39.9598 175.8663 82 F 4.5051 8.2787 113.0297 58.3651 39.0550 175.9210 83 A 4.4882 7.7551 122.9009 51.3355 19.0926 177.5021 84 G 3.9108 7.9249 103.8002 46.9927 0.0000 174.9927 85 Q 4.3874 8.1362 116.8996 55.4643 29.5750 175.5567 86 L 4.6966 7.4475 118.1148 52.6968 43.5604 176.4351 87 E 4.0595 8.8566 122.4175 58.4422 29.6958 177.4453 88 K 4.4998 7.6241 118.5038 53.3791 34.6219 173.7477 89 P 4.3736 0.0000 0.0000 62.7223 31.8076 176.7944 90 V 3.7462 8.2137 116.2179 60.8579 32.2159 175.7704 91 D 4.5303 8.2995 121.4820 53.2256 40.6132 175.7101 92 V 3.8639 7.9939 126.6920 61.5755 32.8866 175.3399 93 Q 4.2500 8.1815 125.7765 55.3318 29.3882 174.5644 94 F 5.4775 8.6504 123.2761 56.0880 41.3568 175.6026 95 E 4.9883 9.2809 120.3331 54.9679 33.0020 173.6860 96 E 5.0974 8.7243 118.3611 54.8983 32.9283 175.7054 97 L 4.4039 9.1354 127.3278 54.9246 45.1699 175.6706 98 G 4.1463 9.3087 114.8589 45.4862 0.0000 174.0313 99 G 3.9176 8.5355 105.2775 44.8873 0.0000 173.7568 100 L 4.8987 7.5526 119.9329 51.7009 44.7281 174.1855 101 P 4.8413 0.0000 0.0000 63.1336 32.0176 175.8878 102 V 4.7501 9.0703 116.3480 59.5574 36.4475 174.3643 103 I 4.6034 8.9191 123.8218 59.7227 38.4372 175.8642 104 K 4.0477 8.4549 128.9170 58.0159 32.4753 176.3183 105 D 4.4628 8.9228 123.0199 54.5372 38.4363 174.0465 106 A 4.3256 7.4022 122.1883 52.1779 19.2086 177.8105 107 L 4.1719 8.7837 122.8317 57.4617 43.1459 176.9089 108 A 5.1738 7.6950 117.5789 50.7972 23.0060 174.9581 109 Q 4.9452 9.4040 118.4671 54.1929 33.0608 174.8247 110 I 4.9223 8.6275 123.6490 59.9323 41.1684 174.2939 111 S 4.9866 9.1030 124.3273 57.2343 65.0512 173.4606 112 C 5.1678 8.7337 120.4767 58.0890 32.7433 172.7699 113 Q 4.8125 8.6019 121.0038 53.8572 30.8396 175.2870 114 V 4.2358 8.5396 124.9974 63.4647 31.5127 175.9622 115 V 4.4618 8.8558 120.5309 61.5125 33.7924 175.2957 116 N 5.0384 7.9617 117.8174 52.3079 42.5238 172.6564 117 E 5.0134 8.7165 123.1576 54.4836 32.9765 175.3472 118 V 4.2453 8.4499 124.0510 60.7416 34.4739 174.4129 119 Q 4.4010 8.7136 129.6477 56.2239 30.1335 175.9705 120 A 4.3870 9.3407 129.4686 51.3254 21.1990 177.0772 121 G 3.7524 8.3267 114.7337 47.0488 0.0000 174.4801 122 D 4.5014 8.8516 123.3767 57.0539 40.9955 175.4958 123 H 5.4314 8.2434 114.4262 54.2059 33.7684 172.3881 124 T 4.8757 8.9139 116.3210 61.7672 71.5856 173.4738 125 L 4.6706 9.0194 126.9040 54.0428 43.3590 175.7817 126 F 5.0565 9.1817 124.2422 56.0018 40.6238 175.0463 127 I 4.7339 8.7118 126.3622 60.5223 38.5954 175.5245 128 G 4.3236 9.3685 114.2543 44.2414 0.0000 171.1676 129 E 4.7915 9.0779 126.7021 55.4140 31.0847 175.4964 130 V 4.2751 8.6286 128.4663 63.1735 31.5422 175.5138 131 T 4.4871 8.9820 118.4345 62.9114 70.3486 174.7343 132 D 4.8787 7.7234 119.8572 52.8905 45.5918 174.5587 133 I 4.9552 8.2366 121.4495 59.5858 41.5574 174.5321 134 K 4.6627 9.2929 126.6352 54.7767 35.4317 174.9352 135 I 5.0311 8.5191 126.9322 59.7333 40.4508 174.3097 136 T 4.7044 8.6358 114.3643 59.6953 72.8631 173.5895 137 E 4.4354 8.4481 118.2286 56.2934 30.0626 176.8634 138 Q 4.3104 7.8737 116.8704 55.5692 29.9789 175.5549 139 D 4.8343 8.3247 119.3546 53.5019 42.4262 174.0318 140 P 5.0973 0.0000 0.0000 61.5547 33.2338 175.2732 141 L 4.2628 8.4684 124.4062 55.3664 43.2238 175.7656 142 L 5.2507 8.9695 125.1629 53.0273 45.9014 175.1390 143 F 5.3125 9.3573 122.9973 56.6552 42.8095 173.3657 144 F 4.8901 8.7513 127.4781 57.7036 43.2527 174.1942 145 S 3.2092 8.7942 122.1783 59.4020 60.7390 173.5814 146 G 3.7050 7.7018 105.4625 45.2535 0.0000 173.9602 147 K 4.4637 6.8497 118.1988 54.0581 35.8580 175.2490 148 Y 5.0301 8.2592 118.7361 58.9518 38.9204 174.5397 149 H 5.0535 9.4277 118.5940 54.9826 34.2015 172.0078 150 Q 5.0265 8.4578 117.0275 53.8383 32.5498 175.8759 151 L 4.0567 8.5194 120.6373 54.3772 42.3712 177.2779 152 A 4.0884 8.4021 125.3422 52.4753 19.0165 177.7481 153 Q 4.2300 8.5685 120.3568 56.0175 29.0397 175.6907 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 D 8.22 4.62 0.00 2.79 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 3 D 8.55 4.26 0.00 2.87 2.75 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 4 R 8.78 3.90 0.00 1.95 1.94 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 5 L 7.92 3.94 0.00 1.82 1.70 0.93 0.90 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 6 F 7.74 4.13 0.00 3.02 3.29 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 7 R 8.21 3.94 0.00 1.84 1.98 0.00 3.28 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 8 N 8.24 4.41 0.00 2.83 2.82 0.00 0.00 7.04 7.01 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 9 A 7.92 4.06 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 *11 G 8.12 3.76 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 0.00 0.00 0.00 12 K 7.80 3.91 0.00 2.00 1.97 0.00 1.71 0.00 0.00 1.27 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.50 7.81 13 F 7.99 4.66 0.00 2.94 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 14 A 8.11 4.68 1.06 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 15 T 8.79 4.55 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 1.39 0.00 0.00 16 G 8.46 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 17 V 8.32 4.80 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 1.05 0.00 0.00 1.12 0.00 0.00 18 T 8.91 5.09 4.12 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 0.97 0.00 0.00 19 V 8.43 4.46 1.80 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 0.20 0.00 0.00 0.90 0.00 0.00 20 I 8.19 4.72 1.76 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 1.32 0.93 0.77 0.00 0.00 21 T 8.79 5.15 4.14 0.00 0.00 0.00 0.00 0.00 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 22 T 8.78 4.86 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 1.18 0.00 0.00 23 E 8.56 5.04 0.00 1.87 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 2.13 2.19 0.00 24 L 8.76 4.40 0.00 1.69 1.51 0.91 0.72 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 25 N 9.89 4.25 0.00 2.87 2.81 0.00 0.00 7.33 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 26 G 8.25 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 0.00 0.00 0.00 0.00 27 A 7.38 4.05 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 28 V 8.01 4.27 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 -0.11 0.00 0.00 0.53 0.00 0.00 29 H 9.31 5.01 0.00 3.02 3.14 0.00 5.61 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 30 G 8.47 4.42 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 0.00 *32 T 8.40 4.41 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 1.22 0.00 0.00 33 A 8.89 4.72 1.21 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 34 N 8.74 4.91 0.00 3.03 2.93 0.00 0.00 6.10 7.26 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 35 A 7.73 4.41 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 36 F 7.62 5.55 0.00 2.97 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 *38 S 8.31 4.04 0.00 3.87 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 39 V 8.60 4.17 2.09 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 0.81 0.00 0.00 0.87 0.00 0.00 40 S 7.47 4.64 0.00 3.83 3.63 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 0.00 0.00 0.00 0.00 41 L 8.63 4.03 0.00 1.63 1.67 0.93 0.92 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 42 N 7.78 4.81 0.00 2.70 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.48 0.00 2.18 2.07 0.00 3.76 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 1.99 1.99 0.00 44 K 8.38 4.53 0.00 1.74 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.67 7.81 45 L 9.02 5.35 0.00 1.53 1.53 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.82 4.85 2.25 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 1.38 0.00 0.00 1.07 0.00 0.00 47 L 8.11 5.50 0.00 1.73 1.37 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.88 4.89 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 0.32 0.00 0.00 0.97 0.00 0.00 49 S 8.77 5.18 0.00 3.92 3.82 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 50 I 8.85 4.64 2.17 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 1.16 0.59 0.97 0.00 0.00 51 G 8.60 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 52 E 8.80 4.13 0.00 2.09 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 0.00 2.36 2.28 0.00 53 K 7.86 4.22 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.49 7.81 54 A 7.69 4.24 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 55 K 8.50 4.04 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.44 7.81 *57 L 8.06 4.35 0.00 1.81 1.82 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.92 4.31 0.00 2.20 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 0.00 2.47 2.19 0.00 59 K 7.67 3.84 0.00 1.69 1.81 0.00 1.31 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.62 1.48 7.81 60 I 7.33 3.70 1.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.29 0.00 0.00 61 Q 8.09 4.17 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.87 2.78 0.00 62 Q 7.97 4.02 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 63 S 8.28 4.22 0.00 4.04 4.10 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 64 K 8.56 4.15 0.00 1.92 1.93 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.52 7.81 65 K 7.37 5.06 0.00 1.92 1.68 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.36 7.81 66 Y 8.27 5.05 0.00 3.10 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 67 A 9.13 5.17 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 68 V 8.97 4.35 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 0.14 0.00 0.00 1.17 0.00 0.00 69 N 8.88 5.08 0.00 2.63 2.68 0.00 0.00 6.59 7.63 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 70 I 8.37 4.23 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.70 0.90 0.00 0.00 71 L 9.02 4.96 0.00 1.64 1.57 0.95 0.69 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 72 S 9.17 4.73 0.00 3.93 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 73 Q 8.92 3.96 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 74 D 8.01 4.75 0.00 2.70 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 75 Q 7.81 4.61 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.30 3.47 0.00 1.45 1.65 0.00 1.48 0.00 0.00 1.35 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.00 0.21 7.81 77 V 7.68 3.67 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 8.05 4.11 0.00 1.98 1.90 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.01 4.32 0.00 3.91 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 *81 N 8.23 4.49 0.00 2.75 2.65 0.00 0.00 7.13 7.71 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 82 F 8.28 4.51 0.00 3.13 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 83 A 7.76 4.49 1.36 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 84 G 7.92 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 0.00 0.00 0.00 85 Q 8.14 4.39 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 86 L 7.45 4.70 0.00 1.55 1.53 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.86 4.06 0.00 1.94 2.00 0.00 0.00 0.00 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 2.24 0.00 88 K 7.62 4.50 0.00 1.63 1.62 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.38 7.81 89 P 0.00 4.37 0.00 2.02 1.87 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 90 V 8.21 3.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.80 0.00 0.00 91 D 8.30 4.53 0.00 2.59 2.57 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 92 V 7.99 3.86 1.78 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 0.16 0.00 0.00 0.91 0.00 0.00 93 Q 8.18 4.25 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 94 F 8.65 5.48 0.00 2.95 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 95 E 9.28 4.99 0.00 1.97 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 2.21 2.25 0.00 96 E 8.72 5.10 0.00 1.90 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 2.17 2.25 0.00 97 L 9.14 4.40 0.00 1.69 1.44 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.31 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 99 G 8.54 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 0.00 0.00 0.00 100 L 7.55 4.90 0.00 1.74 1.52 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.84 0.00 1.69 1.82 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 102 V 9.07 4.75 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 0.70 0.00 0.00 1.04 0.00 0.00 103 I 8.92 4.60 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.26 0.84 0.00 0.00 104 K 8.45 4.05 0.00 1.79 1.66 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.57 7.81 105 D 8.92 4.46 0.00 2.85 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 0.00 106 A 7.40 4.33 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 0.00 107 L 8.78 4.17 0.00 1.80 1.90 1.04 0.83 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 0.00 108 A 7.69 5.17 1.20 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 0.00 0.00 109 Q 9.40 4.95 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 110 I 8.63 4.92 1.88 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 1.27 0.72 0.98 0.00 0.00 111 S 9.10 4.99 0.00 3.71 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 0.00 112 C 8.73 5.17 0.00 1.91 2.28 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 0.00 113 Q 8.60 4.81 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.54 4.24 2.27 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 1.02 0.00 0.00 1.14 0.00 0.00 115 V 8.86 4.46 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 0.71 0.00 0.00 1.00 0.00 0.00 116 N 7.96 5.04 0.00 2.78 2.61 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 0.00 117 E 8.72 5.01 0.00 1.80 1.64 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 1.88 2.39 0.00 118 V 8.45 4.25 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 0.90 0.00 0.00 0.89 0.00 0.00 119 Q 8.71 4.40 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 120 A 9.34 4.39 1.20 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 0.00 0.00 121 G 8.33 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 0.00 122 D 8.85 4.50 0.00 2.84 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 0.00 123 H 8.24 5.43 0.00 3.09 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.91 4.88 4.07 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 0.51 0.00 0.00 125 L 9.02 4.67 0.00 1.47 1.56 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.18 5.06 0.00 2.88 3.17 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 0.00 127 I 8.71 4.73 1.93 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 0.77 0.96 0.00 0.00 128 G 9.37 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 0.00 129 E 9.08 4.79 0.00 2.04 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 2.27 2.43 0.00 130 V 8.63 4.28 2.09 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 0.87 0.00 0.00 1.02 0.00 0.00 131 T 8.98 4.49 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 1.23 0.00 0.00 132 D 7.72 4.88 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.24 4.96 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.92 0.00 0.00 134 K 9.29 4.66 0.00 1.79 1.58 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.43 7.81 135 I 8.52 5.03 1.88 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 1.41 0.80 0.92 0.00 0.00 136 T 8.64 4.70 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 1.27 0.00 0.00 137 E 8.45 4.44 0.00 1.96 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 2.23 2.25 0.00 138 Q 7.87 4.31 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 139 D 8.32 4.83 0.00 2.61 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 0.00 140 P 0.00 5.10 0.00 2.10 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 141 L 8.47 4.26 0.00 2.01 1.65 0.94 0.62 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 0.00 142 L 8.97 5.25 0.00 1.77 1.60 0.95 0.64 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 0.00 143 F 9.36 5.31 0.00 3.06 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 0.00 144 F 8.75 4.89 0.00 3.00 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 0.00 145 S 8.79 3.21 0.00 2.78 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 0.00 146 G 7.70 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 0.00 147 K 6.85 4.46 0.00 1.62 1.51 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.23 7.81 148 Y 8.26 5.03 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 0.00 149 H 9.43 5.05 0.00 3.10 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.46 5.03 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 151 L 8.52 4.06 0.00 1.63 1.59 0.92 0.77 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 0.00 152 A 8.40 4.09 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 0.00 153 Q 8.57 4.23 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.