NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.4004 8.3344 115.4106 57.9722 64.4819 172.9864 13 N 4.1923 7.9076 116.7954 51.9988 40.2496 174.2230 14 P 4.2637 0.0000 0.0000 66.3880 31.8084 178.4113 15 I 3.8411 8.5423 119.7997 64.0296 36.9673 178.3650 16 Q 4.0787 8.3287 118.1556 58.5230 28.5282 178.5993 17 A 3.9910 8.0062 122.2045 54.9995 18.5033 179.1013 18 E 3.8989 7.8841 117.2380 60.0270 29.5895 180.1104 19 V 3.7362 7.7339 111.4604 64.6351 30.2626 178.7856 20 L 4.1161 7.9179 118.5984 56.8940 39.8736 178.5579 21 K 4.4233 8.0451 118.1677 57.0352 32.6287 177.6437 22 R 3.9749 7.9814 119.1194 59.0374 30.3922 177.8682 23 V 3.6735 8.6006 117.9843 66.3156 31.5051 177.9784 24 A 3.6407 7.6199 117.9216 55.1981 18.2141 179.4190 25 E 4.0165 7.6854 116.4152 59.0509 29.4681 179.3467 26 V 3.4145 8.2342 119.0408 65.9266 31.4205 177.8264 27 F 3.8730 8.3652 116.7587 60.6554 38.9518 176.6618 28 D 4.6124 7.7695 116.0178 57.2352 40.8109 177.3814 29 Q 4.8483 7.9744 114.2384 54.8073 30.8999 176.7268 30 H 4.3054 8.4095 113.9090 56.5253 29.0864 175.6622 31 V 4.1027 7.1290 120.4523 60.3327 32.6733 173.6781 32 P 4.2289 0.0000 0.0000 66.0495 31.4301 178.2861 33 F 4.2918 8.2486 118.4942 61.6945 39.3159 176.6127 34 H 4.2091 8.2877 115.4281 58.9078 28.6277 177.2650 35 N 4.5289 7.9915 117.9705 55.8405 38.2099 177.2747 36 L 4.0068 7.7111 121.2184 57.7520 42.2087 178.3999 37 L 4.1793 7.4434 117.3272 54.6512 41.8822 177.4225 38 G 3.7771 7.4264 104.9490 45.5757 0.0000 172.7778 39 L 4.3863 8.0794 122.5060 54.4612 42.8872 175.7157 40 D 5.0358 8.8511 125.7264 52.7420 44.3220 175.4160 41 I 4.5317 8.9599 125.6439 59.2273 35.7983 175.5566 42 K 3.9974 8.7772 127.5623 59.2887 32.5083 175.8564 43 R 4.8060 7.4435 115.5216 55.4177 35.2240 172.7596 44 Y 4.5778 8.3555 115.1976 57.7822 41.4445 172.3459 45 D 4.3865 8.1338 125.3787 52.6277 42.1213 177.2735 46 I 3.2899 7.3066 113.5006 63.4414 38.1358 175.3616 47 D 4.4247 7.2901 120.5136 53.7597 41.2802 176.1673 48 G 4.1475 7.7957 110.0881 43.8221 0.0000 172.7120 49 V 4.2575 8.2239 122.8570 60.6145 33.0415 174.7404 50 E 4.9281 8.3511 119.6294 54.5266 33.3352 174.3391 51 V 4.7468 8.8962 125.1752 61.2477 34.7487 173.9994 52 A 5.4109 8.9202 129.2377 50.4145 22.8316 174.8075 53 I 4.7447 8.7257 119.6551 59.0641 41.4904 172.9043 54 N 5.2295 8.8521 135.0000 52.9300 39.9523 176.4926 *56 K 4.1118 8.6305 125.7487 56.7837 33.7389 174.8178 57 P 4.2251 0.0000 0.0000 66.1584 31.3757 178.3853 58 E 4.0546 8.1520 115.6165 58.4812 29.6708 177.3515 59 L 4.4766 8.2294 118.2256 54.4662 42.2671 176.6050 60 I 4.3164 7.4259 120.6512 61.1930 36.9750 174.4262 61 G 3.7501 8.1626 110.8323 46.2648 0.0000 172.9370 62 N 4.5917 7.7627 118.7632 51.6915 39.6122 176.5058 63 I 3.7759 8.3014 127.6128 64.5996 37.7113 177.5451 64 H 4.3785 8.3301 116.6832 58.9372 28.6140 176.6099 65 Q 4.1179 8.7927 116.5044 56.1918 29.3602 175.6916 66 Q 3.5078 7.8780 116.5631 57.2780 26.7969 173.0014 67 I 4.8015 7.0319 110.0139 58.4739 41.4424 176.0213 68 L 4.4238 9.0131 127.0404 55.6697 42.7010 176.2643 69 H 4.2345 9.1378 126.3913 55.8366 30.5932 176.4298 70 G 3.8873 8.9442 112.1891 48.0108 0.0000 175.9419 71 G 3.7641 8.5215 107.3783 47.5417 0.0000 176.0083 72 V 3.6274 8.1167 120.6971 66.1774 31.6366 178.1247 73 T 3.7839 7.9991 114.7990 66.6005 68.2825 176.1561 74 A 3.9639 8.1982 122.3602 55.5086 18.4762 179.4555 75 T 3.9058 8.1838 114.4901 67.1360 68.6536 176.6956 76 V 3.6196 8.0311 119.8433 66.1777 31.5122 178.1083 77 L 4.0384 7.9422 118.4866 57.7668 41.4644 178.9019 78 D 4.5224 8.3958 118.1710 57.4146 41.2374 178.5337 79 V 3.7251 8.0692 118.7603 66.0278 31.5340 178.0173 80 V 3.6546 8.0203 118.1683 65.9859 31.3181 178.2945 81 G 3.8288 7.7453 106.7662 47.1694 0.0000 175.8972 82 G 3.0475 7.5848 108.4911 47.2094 0.0000 175.7203 83 L 3.5777 7.5314 121.4962 57.5660 41.5342 179.8135 84 T 3.8656 7.9713 115.4764 66.4440 68.3672 176.5173 85 A 3.9131 8.2707 122.9026 55.2472 18.4872 179.3158 86 F 4.0256 8.6203 119.1802 61.5035 39.4411 177.1201 87 A 3.9494 8.6041 120.7089 55.1057 17.8827 179.8812 88 G 3.5139 7.7803 103.4935 47.6969 0.0000 175.4353 89 L 4.1295 7.6956 122.7196 57.8365 42.0225 179.0417 90 V 3.2997 7.4185 117.9077 66.0294 31.2967 177.9080 91 A 4.1503 7.7096 119.1764 54.4888 18.2789 179.0679 92 S 4.3325 7.7436 111.5589 59.5938 63.4220 174.1071 93 R 4.5097 7.3588 119.6931 54.9618 33.8566 174.4153 94 D 4.8618 8.2849 116.7787 54.3579 42.1986 176.5876 95 D 4.5906 7.5093 117.8188 53.5844 41.5682 176.5804 96 W 4.8907 7.8211 119.7444 57.8389 29.1227 176.0743 97 T 4.5531 9.2970 114.3546 60.4659 70.7415 175.9182 98 I 3.8560 8.3427 121.2635 64.6507 37.1639 178.4464 99 E 4.5094 8.1250 119.2905 58.6802 29.1276 178.3771 100 E 3.9974 8.4634 120.5555 59.4997 29.7024 178.9386 101 L 3.9342 7.6474 117.1935 57.3275 41.5488 179.4326 102 Q 4.0261 8.0771 118.4652 59.0578 28.4026 178.7084 103 Q 4.0481 8.1068 118.2191 58.8267 28.9390 178.7992 104 R 4.1051 7.5867 117.8610 59.2973 29.8456 178.8643 105 L 3.4773 8.3149 120.3293 57.9542 41.7041 178.7659 106 Q 4.1176 7.7021 116.6949 58.2646 28.7960 177.7208 107 T 4.2173 7.7623 116.1337 64.0850 69.0782 175.2588 108 L 3.9181 6.6218 122.3996 55.8599 42.4360 176.3741 109 G 4.1086 8.2449 111.3482 45.4268 0.0000 172.1607 110 T 4.1554 8.5904 117.6168 62.9525 69.5658 174.8538 111 I 4.2128 8.4924 128.1457 63.4313 38.3012 175.0806 112 D 4.4110 7.1911 118.5439 52.4024 42.7174 173.1559 *114 R 4.2779 8.4311 117.2685 56.5422 31.4052 174.6697 115 V 4.6485 8.4376 125.3220 61.1026 34.1702 174.1937 116 D 4.8724 9.1327 127.5521 52.7116 43.2328 174.9789 117 Y 4.3564 8.6782 122.5440 57.7304 37.9476 175.4425 118 L 4.3535 8.6299 125.1699 56.4950 42.6358 177.5643 119 R 4.7149 7.6537 113.9663 53.3456 34.2790 173.0295 120 P 4.3103 0.0000 0.0000 63.0522 32.0346 178.4840 121 G 3.9376 8.5412 112.2901 44.9677 0.0000 171.8055 122 R 5.0072 8.9641 120.5732 53.5990 33.2449 176.1359 123 G 3.8548 8.0355 110.5012 45.6170 0.0000 172.1681 124 Q 4.1926 9.0720 118.3680 57.2469 29.5541 176.8519 125 I 4.5636 7.3193 117.1212 59.2489 41.2529 174.4141 126 F 5.3026 8.9783 124.1552 56.0355 42.4061 174.4923 127 T 5.1063 9.1890 119.0662 61.7204 72.4821 173.1368 128 G 5.1688 9.5801 113.4150 44.5670 0.0000 171.9907 129 T 5.2648 8.1311 108.9221 60.4892 72.5593 172.5785 130 G 4.3281 8.2507 108.0429 46.2123 0.0000 171.7727 131 S 4.7602 8.4581 111.6535 57.1478 66.5363 174.4482 132 V 4.3210 8.4488 122.8669 62.9437 31.4140 175.5347 133 I 4.3008 8.9400 121.4114 61.3222 39.3983 175.7938 134 R 4.4584 7.7889 122.9995 54.9417 32.5942 173.1197 135 A 4.7634 8.6885 129.1077 50.9254 19.7487 176.4587 136 G 4.7751 8.7144 110.1437 42.4972 0.0000 172.2230 137 N 4.6431 8.7882 117.8432 54.9022 39.4332 175.7782 138 R 4.6583 8.0570 112.5821 56.4199 32.1729 176.5490 139 V 4.8230 7.7332 118.1874 61.0381 35.1938 174.5618 140 S 5.2565 9.3374 122.5396 56.7647 67.3822 172.9796 141 V 5.0013 8.9778 122.7649 61.5173 34.4041 174.1921 142 C 5.3910 9.4163 123.8931 58.3131 33.2898 172.6223 143 R 5.3198 8.5863 118.5518 53.4193 33.8868 174.5144 *145 E 4.7103 8.4067 119.2421 56.3541 31.3013 173.9686 146 L 5.4842 9.0024 127.3017 53.6084 45.1889 174.8652 147 H 6.1320 9.3964 120.6676 52.9812 33.0075 172.2465 148 N 5.4003 8.8285 116.8108 50.3631 39.5912 175.5252 149 E 4.1716 8.6062 116.0190 59.1154 29.4500 177.7066 150 Q 4.1485 8.1545 116.4287 55.9009 29.0747 176.5863 151 G 3.8529 8.6280 107.3550 45.2932 0.0000 174.1124 152 T 3.8886 8.0788 118.1400 63.4474 68.6973 173.4543 153 H 4.7139 8.7004 124.4299 56.1755 29.1832 175.1466 154 I 4.2005 9.3912 126.9369 63.7609 38.4199 175.9713 155 A 4.8592 7.6604 120.5539 50.9406 22.5878 175.1487 156 F 5.6131 9.0143 118.0325 56.0215 42.6238 174.7867 157 G 4.5532 8.4197 106.2587 45.5131 0.0000 171.6227 158 T 5.1414 8.8214 116.7901 61.9341 72.4451 174.0357 159 G 4.1044 9.3542 112.7887 44.6810 0.0000 171.2616 160 T 4.9329 8.3534 119.3215 61.4593 70.3478 171.9826 161 Y 5.6499 9.1539 126.4439 57.2595 41.5987 178.5330 *163 V 4.2675 8.6719 119.7382 61.8400 33.6507 175.5818 164 G 3.8219 7.9063 113.9817 46.1562 0.0000 173.2630 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 12 S 8.33 4.40 0.00 3.98 3.97 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 13 N 7.91 4.19 0.00 2.86 2.83 0.00 0.00 7.38 6.83 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 14 P 0.00 4.26 0.00 2.31 2.31 0.00 3.76 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 2.10 2.08 0.00 15 I 8.54 3.84 2.04 0.00 0.00 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 1.56 0.98 0.98 0.00 0.00 16 Q 8.33 4.08 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 17 A 8.01 3.99 1.38 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 0.00 0.00 0.00 18 E 7.88 3.90 0.00 2.08 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 2.60 2.54 0.00 19 V 7.73 3.74 2.24 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 0.95 0.00 0.00 1.00 0.00 0.00 20 L 7.92 4.12 0.00 1.81 1.61 0.79 0.04 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 21 K 8.05 4.42 0.00 1.88 1.82 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 22 R 7.98 3.97 0.00 2.10 2.08 0.00 3.27 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 23 V 8.60 3.67 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 0.80 0.00 0.00 1.17 0.00 0.00 24 A 7.62 3.64 1.50 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 0.00 0.00 0.00 25 E 7.69 4.02 0.00 2.23 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 2.47 2.48 0.00 26 V 8.23 3.41 2.37 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 1.12 0.00 0.00 1.05 0.00 0.00 27 F 8.37 3.87 0.00 2.84 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 28 D 7.77 4.61 0.00 2.90 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 29 Q 7.97 4.85 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 30 H 8.41 4.31 0.00 3.27 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.13 4.10 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 0.81 0.00 0.00 0.61 0.00 0.00 32 P 0.00 4.23 0.00 2.22 2.13 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 33 F 8.25 4.29 0.00 3.04 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 34 H 8.29 4.21 0.00 3.39 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.99 4.53 0.00 2.85 2.84 0.00 0.00 6.59 7.95 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 36 L 7.71 4.01 0.00 1.60 1.63 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.44 4.18 0.00 1.39 1.53 -0.20 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.43 3.78 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 0.00 0.00 0.00 39 L 8.08 4.39 0.00 1.55 1.72 0.81 0.96 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 40 D 8.85 5.04 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.96 4.53 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.71 0.83 0.00 0.00 42 K 8.78 4.00 0.00 1.77 1.88 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 43 R 7.44 4.81 0.00 1.78 1.83 0.00 3.24 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 44 Y 8.36 4.58 0.00 2.68 2.80 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 0.00 0.00 0.00 0.00 45 D 8.13 4.39 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.31 3.29 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.51 0.83 0.00 0.00 47 D 7.29 4.42 0.00 2.67 2.54 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 48 G 7.80 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 49 V 8.22 4.26 2.36 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 0.74 0.00 0.00 1.00 0.00 0.00 50 E 8.35 4.93 0.00 2.15 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 0.00 2.21 2.25 0.00 51 V 8.90 4.75 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 0.89 0.00 0.00 0.90 0.00 0.00 52 A 8.92 5.41 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 I 8.73 4.74 1.90 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 1.29 1.27 1.11 0.00 0.00 54 N 8.85 5.23 0.00 2.66 2.30 0.00 0.00 7.11 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 *56 K 8.63 4.11 0.00 1.96 1.99 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.62 7.81 57 P 0.00 4.23 0.00 2.20 2.19 0.00 3.60 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 2.13 2.16 0.00 58 E 8.15 4.05 0.00 1.92 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 2.30 2.39 0.00 59 L 8.23 4.48 0.00 1.70 1.68 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.43 4.32 1.98 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 1.26 0.49 0.92 0.00 0.00 61 G 8.16 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 62 N 7.76 4.59 0.00 2.71 2.71 0.00 0.00 6.95 7.83 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 63 I 8.30 3.78 1.77 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 1.40 0.63 0.87 0.00 0.00 64 H 8.33 4.38 0.00 3.38 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.79 4.12 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.73 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 66 Q 7.88 3.51 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 67 I 7.03 4.80 1.88 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 1.23 1.25 0.98 0.00 0.00 68 L 9.01 4.42 0.00 1.65 1.46 0.87 -0.83 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 69 H 9.14 4.23 0.00 3.34 3.13 0.00 5.66 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 70 G 8.94 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.52 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 72 V 8.12 3.63 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 1.04 0.00 0.00 0.96 0.00 0.00 73 T 8.00 3.78 4.63 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 1.13 0.00 0.00 74 A 8.20 3.96 1.50 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 0.00 0.00 0.00 75 T 8.18 3.91 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 76 V 8.03 3.62 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 1.05 0.00 0.00 0.96 0.00 0.00 77 L 7.94 4.04 0.00 1.91 1.74 0.85 0.99 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 78 D 8.40 4.52 0.00 2.91 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 79 V 8.07 3.73 2.26 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 1.06 0.00 0.00 1.06 0.00 0.00 80 V 8.02 3.65 2.26 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 1.00 0.00 0.00 1.00 0.00 0.00 81 G 7.75 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 0.00 0.00 0.00 82 G 7.58 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 3.58 0.00 1.73 1.43 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.97 3.87 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 1.20 0.00 0.00 85 A 8.27 3.91 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 86 F 8.62 4.03 0.00 3.13 3.09 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 87 A 8.60 3.95 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 88 G 7.78 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 4.13 0.00 1.68 1.38 1.07 0.77 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 90 V 7.42 3.30 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 0.85 0.00 0.00 0.32 0.00 0.00 91 A 7.71 4.15 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 92 S 7.74 4.33 0.00 4.05 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 0.00 93 R 7.36 4.51 0.00 0.67 0.96 0.00 2.64 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.31 0.00 94 D 8.28 4.86 0.00 2.54 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 95 D 7.51 4.59 0.00 2.34 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 96 W 7.82 4.89 0.00 3.28 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 97 T 9.30 4.55 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 1.39 0.00 0.00 98 I 8.34 3.86 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.55 0.94 0.00 0.00 99 E 8.12 4.51 0.00 2.22 2.24 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 2.41 2.28 0.00 100 E 8.46 4.00 0.00 2.22 2.37 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 2.86 2.60 0.00 101 L 7.65 3.93 0.00 1.75 1.69 0.79 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.08 4.03 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 103 Q 8.11 4.05 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.77 0.00 104 R 7.59 4.11 0.00 2.19 2.15 0.00 3.59 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.41 0.00 105 L 8.31 3.48 0.00 1.49 1.70 0.35 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.70 4.12 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 107 T 7.76 4.22 4.45 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 0.00 0.00 0.00 1.29 0.00 0.00 108 L 6.62 3.92 0.00 1.65 1.70 1.06 1.04 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 0.00 109 G 8.24 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 0.00 110 T 8.59 4.16 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 0.90 0.00 0.00 111 I 8.49 4.21 1.92 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 1.27 0.49 0.88 0.00 0.00 112 D 7.19 4.41 0.00 2.69 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 *114 R 8.43 4.28 0.00 1.94 1.88 0.00 3.13 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 115 V 8.44 4.65 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 0.11 0.00 0.00 0.87 0.00 0.00 116 D 9.13 4.87 0.00 2.59 2.56 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 0.00 117 Y 8.68 4.36 0.00 2.83 2.90 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 0.00 118 L 8.63 4.35 0.00 1.47 1.53 -0.35 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.65 4.71 0.00 1.75 1.78 0.00 3.36 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 120 P 0.00 4.31 0.00 2.06 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 121 G 8.54 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 0.00 122 R 8.96 5.01 0.00 1.85 1.89 0.00 3.41 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 123 G 8.04 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 0.00 0.00 0.00 124 Q 9.07 4.19 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 125 I 7.32 4.56 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.94 0.00 0.00 126 F 8.98 5.30 0.00 2.96 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 0.00 127 T 9.19 5.11 4.05 0.00 0.00 0.00 0.00 0.00 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 0.00 128 G 9.58 5.17 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 0.00 0.00 0.00 129 T 8.13 5.26 4.27 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 1.27 0.00 0.00 130 G 8.25 4.33 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 0.00 131 S 8.46 4.76 0.00 3.88 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 0.00 132 V 8.45 4.32 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 0.93 0.00 0.00 0.93 0.00 0.00 133 I 8.94 4.30 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 1.19 0.81 0.89 0.00 0.00 134 R 7.79 4.46 0.00 1.87 1.82 0.00 3.18 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 135 A 8.69 4.76 1.24 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 0.00 136 G 8.71 4.78 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 0.00 0.00 0.00 137 N 8.79 4.64 0.00 2.73 2.90 0.00 0.00 6.79 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 0.00 138 R 8.06 4.66 0.00 1.86 2.03 0.00 3.22 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 139 V 7.73 4.82 2.12 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 1.16 0.00 0.00 0.97 0.00 0.00 140 S 9.34 5.26 0.00 3.86 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 0.00 141 V 8.98 5.00 2.12 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 1.06 0.00 0.00 0.96 0.00 0.00 142 C 9.42 5.39 0.00 2.96 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 0.00 143 R 8.59 5.32 0.00 1.65 1.70 0.00 3.09 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 *145 E 8.41 4.71 0.00 2.04 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 2.65 2.50 0.00 146 L 9.00 5.48 0.00 1.81 1.50 1.01 0.64 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 0.00 147 H 9.40 6.13 0.00 3.19 3.41 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.83 5.40 0.00 2.60 2.99 0.00 0.00 6.48 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 0.00 149 E 8.61 4.17 0.00 2.04 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 2.22 2.21 0.00 150 Q 8.15 4.15 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 151 G 8.63 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 0.00 0.00 0.00 152 T 8.08 3.89 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 1.24 0.00 0.00 153 H 8.70 4.71 0.00 3.09 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 9.39 4.20 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.96 0.00 0.00 155 A 7.66 4.86 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 0.00 156 F 9.01 5.61 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 0.00 157 G 8.42 4.55 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 0.00 0.00 0.00 158 T 8.82 5.14 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 1.24 0.00 0.00 159 G 9.35 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 0.00 0.00 0.00 160 T 8.35 4.93 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 0.00 161 Y 9.15 5.65 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *163 V 8.67 4.27 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 0.81 0.00 0.00 1.06 0.00 0.00 164 G 7.91 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.