NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.8848 8.3033 117.8001 55.7399 30.9153 171.6312 5 R 5.0731 8.9149 122.0360 54.2687 31.5467 173.5726 6 A 4.8457 9.2972 127.3622 49.6182 22.0610 174.9173 7 F 3.4171 8.6502 125.6614 58.0435 40.3437 174.6506 8 S 3.9692 8.2348 121.0808 55.6133 65.0772 170.7770 9 P 3.7757 0.0000 0.0000 64.4984 30.7100 177.1844 10 G 3.8379 8.4993 112.1056 44.2821 0.0000 171.9295 11 L 4.3954 7.7703 117.8669 55.0787 39.4919 175.6960 12 T 3.9193 7.7742 107.9276 62.9453 69.6647 175.2946 13 G 3.0651 7.7829 110.1186 44.3691 0.0000 173.2900 14 V 4.6745 6.8658 118.9870 59.6783 33.4077 175.1882 15 L 4.6878 9.2848 127.3672 53.0177 43.4023 174.4872 16 P 4.3537 0.0000 0.0000 62.7522 32.6187 176.8845 17 L 3.8603 8.8543 122.8034 58.5867 41.9252 179.0742 18 R 3.8730 8.0388 117.7152 59.8057 29.4558 177.8652 19 E 4.0180 8.2786 117.5039 59.8182 29.3425 179.4518 20 T 3.8183 7.9158 115.4697 66.8171 68.5815 176.9239 21 R 3.9500 7.8831 119.7108 59.5238 29.6212 178.5367 22 H 4.2081 8.4739 118.2877 58.3613 29.6389 176.3781 23 L 4.3478 7.5788 119.0895 56.0201 41.7898 178.4008 24 V 3.8475 8.0328 119.0755 64.0259 31.3190 176.7546 25 E 4.2799 7.8359 116.0492 57.8934 31.1089 177.5713 26 V 3.7658 7.7697 116.3721 64.8274 31.7702 176.3197 27 L 4.3120 7.3258 115.3337 53.2094 42.6965 174.8767 28 R 3.8710 7.9332 118.5395 55.0476 28.0383 175.3642 29 A 4.5546 8.2333 124.4039 50.2140 20.7889 175.8897 30 R 4.4189 8.4945 122.3784 54.7357 31.7293 176.5292 31 V 3.6411 7.9371 118.9613 64.2412 31.9954 175.8978 32 G 4.1383 9.8598 114.4843 45.5078 0.0000 174.0033 33 D 4.5967 7.6377 119.7164 54.5330 41.8426 175.9303 34 R 5.1120 8.6107 121.9914 55.4490 31.8036 175.4603 35 F 5.0035 8.9798 116.9193 56.1478 42.2174 172.8718 36 T 4.8257 9.0808 116.3564 62.5992 70.1763 174.6559 37 V 4.9793 8.2608 119.2756 59.8980 34.8026 174.7354 38 F 5.6054 8.1110 114.8720 57.1611 41.3198 174.3910 39 D 5.1002 8.8908 117.9548 53.7117 40.5544 174.9523 40 G 4.5279 9.1537 112.3960 46.6447 0.0000 175.4481 41 E 4.1447 8.2301 117.9149 58.4762 30.0289 176.6280 42 R 4.9031 8.1939 115.2609 54.8000 35.1301 173.7737 43 E 5.2930 8.2453 118.5964 55.4795 33.2333 173.3171 44 A 4.4769 8.4301 124.7498 51.1555 23.6718 175.1326 45 L 4.4306 8.6003 122.2304 54.8182 43.6257 175.7051 46 A 5.0164 8.7006 126.2689 50.3524 23.4679 174.1572 47 E 5.0582 8.8784 119.5922 54.1031 32.8032 175.3143 48 V 4.2410 9.2362 126.9845 63.6214 31.9648 176.1725 49 V 4.1025 8.9104 128.7130 64.5468 32.5027 175.5838 50 D 4.9604 7.8631 118.8196 52.4324 44.4143 175.6726 51 L 4.4329 8.9361 123.5889 54.1923 43.1880 178.7663 52 G 3.7514 9.0839 109.5379 45.2506 0.0000 173.9404 53 P 4.6907 0.0000 0.0000 60.7927 32.0783 174.0352 54 P 4.4351 0.0000 0.0000 62.0935 32.3400 175.3021 55 L 4.3801 8.3895 123.5443 55.6472 43.1262 176.0209 56 R 5.0468 8.8496 124.8745 55.1668 33.2607 174.5015 57 Y 5.5547 8.8319 119.6130 56.5308 42.2605 173.1142 58 R 4.8706 9.0630 119.0710 54.3535 33.7926 174.2305 59 V 4.0443 8.5293 125.5610 62.9779 31.4502 175.2185 60 L 4.4582 8.5125 128.4195 56.5795 43.2223 177.2116 61 E 4.6287 7.5898 116.7406 55.2818 32.8566 174.8373 62 E 4.7739 8.9391 126.7614 56.3698 30.7984 175.9087 63 R 4.6945 8.1065 116.5868 55.0260 32.8048 175.0245 64 R 4.0718 8.5059 120.4986 55.2867 30.6667 175.1204 65 P 4.5476 0.0000 0.0000 62.0404 31.9454 176.0705 66 E 4.2157 8.5781 121.9982 56.4653 30.0433 176.9576 67 R 4.5077 8.3074 119.6100 56.1353 32.2118 176.4622 68 E 4.2384 7.8944 117.0466 55.6141 30.3556 176.9747 69 V 4.4514 7.7985 121.1678 66.5644 31.7191 176.4020 70 G 3.8463 7.7477 106.7329 45.6043 0.0000 173.5136 71 V 4.5593 7.2951 111.2166 59.0783 36.0392 174.5451 72 E 4.1247 8.5177 120.5586 56.6745 30.7435 176.6270 73 V 4.7147 8.7695 123.4094 61.2432 34.1051 173.5569 74 V 4.5480 9.0034 128.8413 61.0706 33.5862 174.0719 75 L 4.9144 8.8571 130.9355 53.8376 43.8278 174.9926 76 Y 5.0365 9.3459 127.0256 56.8622 38.9464 175.0139 77 V 4.9952 8.3536 124.1802 59.3098 34.2701 175.4832 78 A 4.6956 8.5411 126.4597 51.5964 19.1232 177.2333 79 L 4.0983 8.5634 120.7682 55.0441 42.2808 176.9811 80 L 4.6974 8.2830 121.9808 52.4442 44.6534 176.1170 81 K 4.2434 9.4595 119.6566 56.5752 33.4353 178.4028 82 G 3.9784 8.3193 108.4401 47.3007 0.0000 174.1697 83 D 4.9533 8.2533 118.8628 53.9036 42.0241 178.8835 84 K 4.2130 7.7586 119.9553 58.7693 31.8684 178.5858 85 L 3.9840 7.9272 120.1893 57.7870 42.0192 178.7130 86 A 3.9847 7.7484 120.8251 54.9875 18.2878 179.4112 87 E 3.9240 8.0949 115.7865 59.5027 29.6931 179.3669 88 V 3.5369 7.7962 119.2618 65.7251 31.6022 178.1554 89 V 3.5899 7.9613 118.0903 65.8464 31.3494 177.9701 90 R 3.7978 8.0762 118.1440 59.5057 29.9443 178.4259 91 A 4.3299 8.4436 121.7643 54.6451 18.3134 179.4530 92 A 3.9538 8.4953 119.7113 55.4910 18.3529 180.1058 93 T 3.8354 7.9356 114.5029 66.8530 68.4260 176.9245 94 E 4.0496 8.1072 120.4548 59.0255 29.2143 178.4021 95 L 4.4886 7.9098 116.8728 54.6578 41.8691 177.7334 96 G 3.8848 7.9571 107.6121 44.7660 0.0000 174.1093 97 A 4.2125 7.7954 122.6401 52.9436 19.0987 177.6657 98 T 4.5489 8.7383 109.7472 61.9500 71.4398 174.1298 99 R 4.9864 7.6252 121.7737 55.1807 34.0220 173.3031 100 I 4.7626 9.3685 127.3709 59.6066 40.5632 174.2538 101 Q 4.7067 8.9598 129.7117 53.3346 30.4018 172.8654 102 P 4.9730 0.0000 0.0000 62.6387 32.9003 175.4300 103 L 5.3177 8.8210 121.5420 53.0718 46.3105 175.4796 104 V 4.6272 8.7150 122.4929 61.7633 33.5596 174.8999 105 T 5.0275 8.6831 116.8337 59.6938 72.4157 174.7483 106 R 3.8035 8.8368 122.4362 59.8402 29.8078 177.0410 107 H 4.7717 7.8849 110.7128 55.6589 29.4841 175.5990 108 S 4.2226 7.5800 115.3090 58.2012 63.4225 174.6426 109 V 3.6850 8.3911 124.4915 65.5578 31.6687 174.8099 110 P 4.5195 0.0000 0.0000 62.6176 31.7345 176.2133 111 K 4.6875 8.0601 118.4513 55.3390 33.9690 176.6661 112 E 4.6060 7.7158 115.5974 55.4024 32.8187 175.5629 *114 G 3.7472 7.9905 104.3606 44.5892 0.0000 173.0058 115 E 4.0420 8.5049 120.1191 59.0774 29.6851 178.9888 116 G 3.6047 8.0295 105.2920 47.7500 0.0000 175.6228 117 K 3.9782 7.9627 120.6368 59.0734 32.1961 178.9799 118 L 3.9288 7.8637 120.5755 58.1528 41.9928 178.9749 119 R 3.8834 8.2742 118.8861 59.2995 30.0263 178.4545 120 R 3.8486 8.0420 118.4552 59.5554 30.1588 178.4662 121 L 4.0204 8.0775 118.7617 57.9703 41.5896 179.8257 122 R 3.9642 8.1229 117.7636 59.0059 29.8670 178.9618 123 A 4.0249 7.9141 120.8585 54.8886 18.2963 179.8361 124 V 3.4901 7.9396 116.6589 66.0609 31.5454 178.1708 125 A 3.9628 8.0492 120.5117 54.9543 18.3149 179.2301 126 L 3.8532 7.9522 118.8528 58.3024 42.1856 178.8753 127 E 3.8875 8.3771 118.9638 59.3704 29.6672 178.6490 128 A 4.0081 8.4268 120.9669 54.8965 18.3181 179.5045 129 A 4.0039 8.1351 120.8994 54.6765 18.4938 179.9298 130 K 3.8813 7.8321 116.4354 59.9571 32.0035 179.7638 131 Q 4.1192 8.0256 116.6800 58.2168 28.8245 177.9152 132 S 4.5594 8.1955 113.9258 58.0120 63.2708 175.5870 133 G 4.0474 7.9170 110.7754 45.7267 0.0000 174.1497 134 R 4.2587 7.8058 118.3557 55.6913 30.8059 176.6301 135 V 4.1597 8.1914 118.4566 62.6316 33.0106 175.5729 136 V 4.1283 7.5767 119.1580 61.6596 32.4898 174.6104 137 V 4.2833 8.0730 126.7209 60.2644 32.8478 173.4456 138 P 4.5557 0.0000 0.0000 62.7963 32.1590 175.3337 139 E 4.3074 8.7240 124.5921 55.5353 31.0391 175.0174 140 V 4.7559 8.3845 126.5248 61.2084 33.4366 174.5734 141 L 4.8462 8.2884 127.2521 51.9644 44.5475 174.7314 142 P 4.3814 0.0000 0.0000 61.8816 31.8720 175.0125 143 P 5.1332 0.0000 0.0000 62.6022 32.1268 175.5440 144 I 4.8977 8.0986 113.8013 58.3908 41.5090 172.7970 145 P 4.7466 0.0000 0.0000 62.7409 32.3877 176.9676 146 L 3.9301 8.5901 123.4020 58.2393 42.0182 179.3569 147 K 4.0170 8.0351 114.4310 58.4991 32.3743 176.9012 148 A 4.3344 7.6967 121.8661 52.5222 19.2619 177.9054 149 V 3.6144 7.7418 117.3912 62.0205 31.9437 174.1676 150 P 4.6027 0.0000 0.0000 61.5680 32.4582 175.4414 151 Q 4.2521 8.3541 119.5763 56.1195 29.5690 175.1805 152 V 4.3663 8.3967 117.0524 59.2382 35.2323 175.9906 153 A 4.0352 8.4951 125.0100 54.8935 18.7566 178.1925 154 Q 4.3124 7.6662 117.5898 54.8317 32.1536 173.9755 155 G 3.9182 8.4202 112.5776 44.2288 0.0000 170.7109 156 L 5.6588 9.1852 121.0216 52.7107 46.0475 176.1488 157 V 5.0988 8.9418 121.7209 59.8968 34.7925 174.4318 158 A 4.7233 8.8600 127.1045 52.2523 19.3022 176.0851 159 H 4.7420 9.2469 121.3744 54.4565 33.2217 174.5121 160 V 3.6229 8.6498 125.1605 66.0076 31.4570 177.3184 161 G 3.7561 8.4037 106.7134 47.2349 0.0000 173.8440 162 A 4.2085 7.7921 123.2666 52.4759 18.8248 177.2056 163 T 4.4500 8.2773 109.1871 61.6600 71.1689 174.8418 164 A 4.2984 7.8067 125.5658 51.9753 19.3184 176.6328 165 R 4.6850 8.9996 121.3076 54.7292 31.9470 177.9683 166 V 3.6074 8.5393 120.8095 66.2011 31.4814 178.4772 167 R 4.0984 7.9441 113.7455 58.2223 29.4082 176.8781 168 E 4.3576 8.0626 117.2417 57.0901 30.0074 177.1028 169 V 4.3068 7.5110 109.5775 60.9872 34.1284 175.8781 170 L 4.0661 7.8588 122.3299 54.9473 42.5515 175.5700 171 D 4.7867 9.3695 126.4635 51.6094 41.5635 174.7683 172 P 4.4214 0.0000 0.0000 64.5269 31.3066 176.7148 173 E 4.4108 8.1980 115.8743 55.9648 30.4153 175.8127 174 K 4.3967 7.4529 120.5683 54.3973 33.5641 174.0587 175 P 4.5549 0.0000 0.0000 62.7176 32.4991 175.3161 176 L 4.9694 9.3350 122.6555 53.2977 45.4307 174.9092 177 A 5.4485 8.8077 127.1883 50.1689 22.2188 174.7131 178 L 5.4987 9.4134 121.6293 52.8700 45.4868 175.3918 179 A 5.4284 9.0932 125.0293 50.1733 21.4394 175.6720 180 V 4.3659 9.0215 122.3331 61.0688 34.7878 175.8969 181 G 2.8474 7.7840 115.3293 44.0821 0.0000 170.5399 182 P 4.6376 0.0000 0.0000 61.6003 33.1230 176.3652 183 E 3.9393 8.7945 116.8305 59.8608 29.2547 178.8661 184 G 3.4819 7.9107 105.4585 46.1144 0.0000 174.3913 185 G 3.8813 8.0308 106.0490 44.9176 0.0000 173.0701 186 F 4.6990 8.1811 116.8989 56.8927 39.8428 176.5383 187 A 4.4812 9.6103 126.2969 51.4573 20.5838 178.7874 188 E 3.9525 8.7798 121.2756 59.6347 29.5786 179.6574 189 E 4.0337 8.2498 117.0086 59.5990 29.3167 179.1035 190 E 3.8280 7.9493 118.8510 59.1660 29.6021 179.1595 191 V 3.2903 7.9996 118.2598 65.7635 31.4868 177.8766 192 A 3.9135 8.2948 120.9808 55.0821 18.2193 179.4008 193 L 3.8518 7.7486 118.8328 58.0724 42.1122 179.0724 194 L 3.7505 7.9299 119.2545 57.9403 41.5585 179.4388 195 E 4.6000 8.6582 119.7080 58.8802 29.1151 179.2767 196 A 4.0340 7.6969 120.1311 55.1040 18.8106 179.2706 197 R 4.5399 7.5583 116.2656 56.4272 29.9589 178.0240 198 G 4.0566 7.9135 107.7149 44.9696 0.0000 173.2136 199 F 4.4419 8.6111 119.2576 56.6430 40.6442 174.8827 200 T 4.8665 9.4461 122.0593 61.5486 70.0754 172.4636 201 P 5.0425 0.0000 0.0000 62.9286 32.4277 175.9373 202 V 4.7457 8.8510 115.4661 59.5804 36.3901 174.4199 203 S 4.7134 8.9651 117.7638 57.3470 63.2412 173.9168 204 L 4.6090 8.7369 125.1194 54.4073 42.3466 176.8544 205 G 3.8714 8.1364 106.2711 44.6697 0.0000 174.1095 206 R 4.1601 8.2354 115.6453 57.2251 30.4629 176.8516 207 R 4.6603 7.5753 115.9342 53.9137 32.8642 175.3544 208 I 4.0104 8.1399 120.8519 60.9935 37.6273 175.7277 209 L 4.7494 8.1217 125.1185 52.7408 44.1012 177.2903 210 R 4.1235 8.2075 120.1670 55.7504 32.1227 177.8219 211 A 3.9540 8.4959 123.0231 55.5106 18.3318 180.1009 212 E 3.8938 8.0834 116.3542 60.0061 29.5569 179.6055 213 T 3.8573 7.8875 114.9614 66.5052 68.4923 176.4678 214 A 3.9603 8.2214 122.5620 54.8987 18.4156 179.4731 215 A 3.9478 8.1090 119.2892 55.5426 18.5321 179.9913 216 L 3.9794 8.1414 117.2665 57.6618 41.6249 179.6930 217 A 4.0012 8.3398 121.1675 55.0241 18.1079 179.5635 218 L 3.9617 8.0879 117.5873 57.9648 41.7453 179.7933 219 L 4.0157 7.9000 118.4030 57.9301 41.6600 179.4371 220 A 4.0261 8.4531 120.9677 55.2867 18.0007 179.7034 221 L 4.1373 7.9658 116.7609 57.8047 41.7327 178.8230 222 C 4.4140 7.6705 115.6052 61.5196 28.7119 173.1210 223 T 4.3028 8.2485 108.3700 62.0149 71.4613 175.9074 224 A 3.9802 8.2691 123.4364 54.4519 19.1093 180.3791 225 G 3.6451 8.4923 103.8760 48.1854 0.0000 174.1411 226 E 4.2696 8.0845 117.7449 55.8269 29.5646 176.5877 227 G 3.8881 8.0646 106.9912 46.1799 0.0000 174.3666 228 R 4.1647 7.7821 121.8255 55.8377 29.6393 175.3788 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 4 H 8.30 4.88 0.00 3.19 3.32 0.00 5.54 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.91 5.07 0.00 1.92 2.16 0.00 3.11 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 6 A 9.30 4.85 1.17 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 7 F 8.65 3.42 0.00 2.71 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 8 S 8.23 3.97 0.00 3.75 3.53 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 9 P 0.00 3.78 0.00 1.93 1.93 0.00 3.45 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.42 0.00 10 G 8.50 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.77 4.40 0.00 1.86 1.85 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.77 3.92 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 1.21 0.00 0.00 13 G 7.78 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 0.00 0.00 0.00 14 V 6.87 4.67 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 0.63 0.00 0.00 0.91 0.00 0.00 15 L 9.28 4.69 0.00 1.80 1.68 0.99 0.78 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 16 P 0.00 4.35 0.00 2.56 1.97 0.00 3.70 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 2.03 0.00 17 L 8.85 3.86 0.00 1.75 1.68 0.92 0.77 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 18 R 8.04 3.87 0.00 1.93 1.96 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 19 E 8.28 4.02 0.00 2.26 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 2.71 2.53 0.00 20 T 7.92 3.82 4.39 0.00 0.00 0.00 0.00 0.00 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 21 R 7.88 3.95 0.00 2.01 2.12 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 22 H 8.47 4.21 0.00 3.24 3.56 0.00 5.73 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 23 L 7.58 4.35 0.00 1.64 1.64 0.47 0.70 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 24 V 8.03 3.85 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 1.00 0.00 0.00 0.91 0.00 0.00 25 E 7.84 4.28 0.00 2.15 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 0.00 2.23 2.18 0.00 26 V 7.77 3.77 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 0.80 0.00 0.00 0.94 0.00 0.00 27 L 7.33 4.31 0.00 1.51 1.44 0.59 0.91 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 28 R 7.93 3.87 0.00 1.86 1.94 0.00 3.05 0.00 0.00 3.07 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 29 A 8.23 4.55 1.12 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 0.00 0.00 30 R 8.49 4.42 0.00 2.13 1.87 0.00 3.14 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 31 V 7.94 3.64 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 0.86 0.00 0.00 0.99 0.00 0.00 32 G 9.86 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 0.00 0.00 0.00 0.00 33 D 7.64 4.60 0.00 2.81 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 34 R 8.61 5.11 0.00 1.72 1.83 0.00 3.21 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 35 F 8.98 5.00 0.00 3.26 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 36 T 9.08 4.83 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 37 V 8.26 4.98 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 -0.11 0.00 0.00 0.83 0.00 0.00 38 F 8.11 5.61 0.00 3.31 3.16 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 0.00 0.00 0.00 39 D 8.89 5.10 0.00 2.76 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 40 G 9.15 4.53 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 0.00 0.00 0.00 41 E 8.23 4.14 0.00 2.17 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 2.38 2.32 0.00 42 R 8.19 4.90 0.00 1.77 1.81 0.00 3.14 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 43 E 8.25 5.29 0.00 2.07 1.75 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 2.31 2.40 0.00 44 A 8.43 4.48 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 53 P 0.00 4.69 0.00 2.18 2.04 0.00 3.76 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 1.96 1.94 0.00 54 P 0.00 4.44 0.00 2.37 2.20 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 55 L 8.39 4.38 0.00 1.77 1.57 0.83 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.85 5.05 0.00 1.79 1.74 0.00 3.16 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 57 Y 8.83 5.55 0.00 3.28 3.38 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 58 R 9.06 4.87 0.00 1.90 1.80 0.00 3.09 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 59 V 8.53 4.04 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 0.84 0.00 0.00 1.04 0.00 0.00 60 L 8.51 4.46 0.00 1.54 1.68 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.59 4.63 0.00 1.98 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 2.23 2.29 0.00 62 E 8.94 4.77 0.00 1.89 1.86 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 2.30 2.30 0.00 63 R 8.11 4.69 0.00 1.76 1.84 0.00 3.06 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 64 R 8.51 4.07 0.00 1.82 1.92 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 65 P 0.00 4.55 0.00 2.03 1.98 0.00 3.73 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 66 E 8.58 4.22 0.00 1.93 1.86 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 2.30 2.26 0.00 67 R 8.31 4.51 0.00 1.75 1.92 0.00 3.36 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 68 E 7.89 4.24 0.00 1.94 1.86 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 2.30 2.23 0.00 69 V 7.80 4.45 2.07 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 1.07 0.00 0.00 0.97 0.00 0.00 70 G 7.75 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 71 V 7.30 4.56 2.07 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 0.87 0.00 0.00 0.93 0.00 0.00 72 E 8.52 4.12 0.00 1.89 1.87 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 2.40 2.25 0.00 73 V 8.77 4.71 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 1.02 0.00 0.00 0.93 0.00 0.00 74 V 9.00 4.55 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 0.31 0.00 0.00 0.93 0.00 0.00 75 L 8.86 4.91 0.00 1.75 1.49 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 9.35 5.04 0.00 3.15 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 77 V 8.35 5.00 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 0.79 0.00 0.00 0.92 0.00 0.00 78 A 8.54 4.70 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 79 L 8.56 4.10 0.00 1.53 1.62 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.28 4.70 0.00 1.58 1.69 0.89 0.87 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 81 K 9.46 4.24 0.00 1.85 1.71 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.42 7.81 82 G 8.32 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 83 D 8.25 4.95 0.00 2.73 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 84 K 7.76 4.21 0.00 1.90 1.83 0.00 1.99 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.53 7.81 85 L 7.93 3.98 0.00 1.74 1.65 0.91 0.98 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 86 A 7.75 3.98 1.44 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.14 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.83 3.88 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.63 7.81 131 Q 8.03 4.12 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 132 S 8.20 4.56 0.00 4.05 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 0.00 133 G 7.92 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 0.00 0.00 0.00 0.00 134 R 7.81 4.26 0.00 1.92 1.97 0.00 3.19 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 135 V 8.19 4.16 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 0.79 0.00 0.00 0.93 0.00 0.00 136 V 7.58 4.13 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 0.83 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 A 9.61 4.48 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 8.78 3.95 0.00 2.01 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 2.45 2.36 0.00 189 E 8.25 4.03 0.00 2.14 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 2.36 2.34 0.00 190 E 7.95 3.83 0.00 2.31 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 2.38 2.37 0.00 191 V 8.00 3.29 2.22 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 1.09 0.00 0.00 1.08 0.00 0.00 192 A 8.29 3.91 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 0.00 193 L 7.75 3.85 0.00 1.71 1.73 0.88 0.66 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 0.00 194 L 7.93 3.75 0.00 1.72 1.44 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 195 E 8.66 4.60 0.00 2.11 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 0.00 2.50 2.35 0.00 196 A 7.70 4.03 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 0.00 197 R 7.56 4.54 0.00 2.21 2.25 0.00 3.48 0.00 0.00 3.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 198 G 7.91 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 0.00 199 F 8.61 4.44 0.00 3.01 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 0.00 200 T 9.45 4.87 4.34 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 1.22 0.00 0.00 201 P 0.00 5.04 0.00 2.09 2.05 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 1.99 1.98 0.00 202 V 8.85 4.75 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.03 0.00 0.00 203 S 8.97 4.71 0.00 4.07 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 0.00 204 L 8.74 4.61 0.00 1.65 1.62 0.94 1.03 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 0.00 205 G 8.14 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 0.00 206 R 8.24 4.16 0.00 1.82 1.99 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 207 R 7.58 4.66 0.00 1.76 1.81 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 208 I 8.14 4.01 1.86 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 1.40 0.46 0.89 0.00 0.00 209 L 8.12 4.75 0.00 1.60 1.55 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 210 R 8.21 4.12 0.00 1.83 2.08 0.00 3.13 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 211 A 8.50 3.95 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 0.00 212 E 8.08 3.89 0.00 2.05 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 2.57 2.44 0.00 213 T 7.89 3.86 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 1.21 0.00 0.00 214 A 8.22 3.96 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 0.00 215 A 8.11 3.95 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 0.00 216 L 8.14 3.98 0.00 1.71 1.73 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 217 A 8.34 4.00 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 0.00 218 L 8.09 3.96 0.00 2.04 1.78 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 219 L 7.90 4.02 0.00 1.90 1.73 0.93 0.74 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 0.00 220 A 8.45 4.03 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 0.00 221 L 7.97 4.14 0.00 1.82 1.76 0.94 0.82 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 0.00 222 C 7.67 4.41 0.00 3.05 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 0.00 223 T 8.25 4.30 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 1.25 0.00 0.00 224 A 8.27 3.98 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 0.00 225 G 8.49 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 0.00 226 E 8.08 4.27 0.00 2.11 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 2.48 2.39 0.00 227 G 8.06 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 0.00 228 R 7.78 4.16 0.00 1.94 1.97 0.00 3.22 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.