NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.3677 7.9133 120.4116 62.8986 33.1332 176.9700 8 E 3.9208 8.0219 118.0883 57.1347 29.7176 174.2642 9 S 4.4363 8.1982 111.8019 57.0657 64.5795 173.5522 10 F 4.4543 8.2194 125.4620 57.7517 39.6300 176.0355 11 D 4.7372 8.6975 123.5461 53.1252 39.4453 174.1728 12 L 4.5286 7.9483 122.9887 54.8426 43.8324 175.9241 13 D 4.7559 9.1741 126.8867 53.3006 41.1575 176.6786 14 H 4.4018 9.1210 124.2457 58.1027 28.9694 176.9231 15 T 4.2376 7.9182 108.1404 62.7153 69.0858 175.5124 16 K 4.3462 7.6845 119.8833 56.5572 32.8661 177.0449 17 V 4.0199 7.5153 112.1293 60.6471 32.3912 176.1224 18 K 4.5823 8.9346 120.9737 54.4444 32.8656 176.2783 19 A 4.5763 9.2015 126.0529 50.9531 19.3307 175.1994 20 P 4.8002 0.0000 0.0000 62.9452 33.7235 174.3118 21 Y 5.1123 7.8978 118.0216 56.7764 42.0422 172.7335 22 V 5.1010 8.7059 119.1609 61.2612 34.7097 174.2729 23 R 4.9841 8.9824 126.8504 54.5780 33.9622 173.5325 24 L 4.3991 9.6731 129.3459 55.3913 42.1470 176.3070 25 A 4.4223 9.1842 128.4423 51.5610 20.7277 176.5155 26 G 3.3890 6.4362 103.3867 45.5151 0.0000 172.0011 27 V 4.8988 8.3502 119.9755 60.8754 34.6863 174.1875 28 K 4.6895 9.0526 129.5560 54.7547 34.5978 174.5682 29 T 5.0177 8.4587 117.8436 60.5586 70.6076 174.9123 30 T 4.3465 8.8604 115.9463 59.9815 70.2197 173.8665 31 P 4.2248 0.0000 0.0000 65.5202 31.2799 177.7709 32 K 4.2226 8.0058 114.5417 56.4368 32.1221 177.3161 33 G 3.9289 8.2512 107.5551 45.2083 0.0000 173.5464 34 D 4.8027 8.0977 119.7728 53.6404 42.9884 175.1913 35 Q 5.0761 8.5180 118.1025 54.2763 32.3921 174.8090 36 I 4.7938 8.9223 124.4744 59.8639 39.4429 174.7654 37 S 4.6795 9.1344 124.6062 57.1306 64.8797 173.5523 38 K 4.5381 8.2100 123.1549 54.6685 34.6993 174.8598 39 Y 5.0837 8.0042 120.8653 56.1484 42.2688 174.0588 40 D 4.7564 9.4682 123.2689 53.1315 42.8365 175.2104 41 L 4.6359 8.3570 127.8426 53.2629 42.0962 174.1927 42 R 4.2979 8.3020 124.0308 55.6150 30.5739 176.4588 43 F 4.1660 9.4187 125.7557 60.1555 39.4422 176.0512 44 L 4.8402 8.1432 116.8550 52.5392 44.4515 176.2124 45 Q 4.1109 8.5275 122.2414 55.1522 29.6030 173.7487 46 P 4.3664 0.0000 0.0000 64.6778 31.7066 175.6036 47 N 4.3179 9.0301 118.1431 54.3875 35.8873 174.5096 48 Q 4.4929 9.2376 114.5674 54.8293 29.2797 174.9134 49 G 4.3533 7.1061 103.6019 43.2250 0.0000 172.3213 50 A 4.8166 7.6989 121.0004 50.0403 22.6372 175.6691 51 I 4.1337 8.4440 120.5330 60.5006 38.2626 176.3750 52 D 4.4496 8.6703 125.5031 53.9650 41.7380 175.6213 53 P 4.1586 0.0000 0.0000 65.7851 31.3733 178.8869 54 A 4.2927 8.2044 119.9158 54.6766 18.3325 179.3773 55 A 3.9654 7.9193 118.7841 55.3855 18.5335 179.5684 56 I 3.5373 7.9567 117.1875 64.0705 37.9883 177.6400 57 H 4.1986 8.2346 119.4147 59.6129 29.6702 177.4399 58 T 3.8930 7.9677 117.5014 66.6394 68.1917 176.6762 59 L 4.0466 8.1954 121.0957 57.6771 41.6907 179.2444 60 E 3.9552 8.3062 119.3048 59.6975 29.4147 178.6097 61 H 4.1468 7.9579 114.8844 58.8158 28.9817 177.5928 62 L 3.9404 8.1667 120.7985 57.7788 41.3847 179.5404 63 L 4.1795 8.2216 117.7238 57.3597 41.5928 178.7432 64 A 4.2408 7.7667 120.3104 55.1658 18.4331 179.4792 65 G 3.6620 7.7507 103.0077 47.4656 0.0000 176.9782 66 Y 5.3506 7.6120 121.1348 57.3437 37.7252 178.3672 *68 R 4.3109 8.0326 120.2762 56.3514 32.5409 177.0145 69 D 4.4857 7.8972 117.1789 56.4257 40.9230 177.1741 70 H 5.0348 7.6266 113.1316 55.1956 30.3482 173.7479 71 L 4.6592 7.5602 120.6658 53.3486 44.9084 175.2153 72 E 4.2887 8.7548 125.1690 56.7931 30.8144 176.6187 73 G 3.8868 8.7680 108.0210 45.9093 0.0000 173.5257 74 V 3.8558 7.6189 119.5342 62.8255 32.0703 175.9505 75 V 3.8254 8.9866 128.5726 64.5656 31.7335 175.4975 76 D 4.4584 7.2249 114.4176 52.4809 41.1553 174.7546 77 V 4.5873 8.4674 120.2965 61.4445 33.4067 174.7647 78 S 4.9747 9.5200 124.1310 55.4547 66.1096 173.9652 79 P 4.5947 0.0000 0.0000 62.9351 32.1614 178.1403 *81 G 3.9398 8.8820 103.6348 45.3952 0.0000 173.5428 82 C 4.0792 7.9565 113.0839 58.5814 30.2694 174.1867 83 R 3.9933 7.4710 119.7259 57.5913 27.8795 177.2310 84 T 4.5378 6.9969 106.6206 61.2183 70.6228 173.7800 85 G 4.5966 7.0093 113.9669 46.5976 0.0000 173.9961 *87 Y 4.7583 8.1676 128.5557 57.1090 40.6414 172.1303 *89 A 4.3780 8.1435 120.6889 51.7006 20.4246 175.8606 90 V 4.7960 9.0456 121.2144 61.0058 35.2649 174.6020 91 I 4.4162 9.0737 129.4835 61.2144 37.2197 175.6154 92 G 4.3923 8.5411 117.5734 43.5496 0.0000 171.7280 93 E 4.2040 8.0431 118.7444 54.8963 30.3310 175.0993 94 P 4.4279 0.0000 0.0000 63.7639 32.0383 177.1908 95 D 4.8663 9.3147 120.4356 53.3214 42.6619 175.2846 96 E 4.1234 8.4265 122.0426 59.3093 30.4107 178.8296 97 Q 4.1092 8.3147 118.6112 59.1092 29.5601 177.5170 98 G 3.7972 8.3354 106.4798 48.0779 0.0000 176.0044 99 V 3.4322 7.6850 119.2528 62.7704 30.9968 177.9202 *101 K 4.2183 8.2375 119.2920 55.9616 34.2305 178.2751 102 A 3.9523 8.1150 120.5046 55.1173 18.2180 179.3161 103 F 4.3768 8.5880 119.6484 61.5949 39.4913 176.8428 104 E 3.5644 8.1671 118.0725 59.2101 29.5726 178.5358 105 A 3.8318 7.9666 120.5342 55.0064 18.3864 179.4977 106 A 4.0373 8.4331 119.7689 55.2763 18.4673 179.9036 107 L 3.9378 8.0105 117.7332 57.6510 41.5688 179.8332 108 K 3.9835 7.7668 118.2251 59.3747 31.7016 179.1403 109 D 4.0317 7.4630 117.9565 57.3459 40.8381 178.7293 110 T 4.1788 7.7922 115.9864 66.6785 68.3205 176.6190 111 A 4.3235 8.3681 121.8062 54.8007 18.3668 178.8541 112 G 4.1987 7.6327 101.7398 44.1826 0.0000 173.7672 113 H 4.5550 8.0677 122.0969 55.2004 28.5718 174.0548 114 D 4.8793 8.4062 125.1022 52.8575 39.5945 176.1949 115 Q 4.5493 7.3420 118.1146 53.6279 31.1663 173.3992 116 P 4.4212 0.0000 0.0000 62.6891 31.8118 176.7090 117 I 3.9108 8.1021 122.0552 60.4074 37.5897 174.6681 118 P 4.3089 0.0000 0.0000 63.7453 31.7602 175.9545 119 G 3.7929 8.5457 107.4136 45.7976 0.0000 174.1136 120 V 4.0946 7.5593 120.7429 61.4626 31.0708 174.5327 121 S 4.2545 7.7649 120.1860 57.1789 64.8512 177.0175 122 E 4.0840 8.0102 118.6766 58.7916 29.6022 178.3485 123 L 4.1598 7.8287 119.0834 56.9590 41.8310 177.3589 124 E 4.5066 8.0089 115.8090 56.2141 30.5161 175.0806 125 C 4.9473 8.1508 118.8685 57.3342 34.3937 174.0668 126 G 3.8228 8.8493 114.2533 47.3405 0.0000 173.5733 127 N 4.8982 7.8118 118.0586 52.2523 39.4609 174.5768 128 Y 4.2998 8.0813 117.6702 60.0343 38.4675 178.3307 129 R 4.0528 7.2730 117.2938 57.2068 30.9994 176.4612 130 D 4.7597 8.0992 120.0926 52.5638 39.8397 174.2869 131 H 5.1807 7.7521 117.6000 54.0207 33.3864 173.8454 132 D 4.6057 8.7722 121.1826 52.0722 42.5078 175.6202 133 L 3.9537 8.5388 126.1750 57.6394 42.4432 177.6512 134 A 3.9746 8.1353 119.9622 55.5106 18.3560 179.4017 135 A 3.9747 8.3826 118.7626 54.9604 18.4862 179.7591 136 A 4.0122 8.0947 119.4201 55.5799 18.5589 180.0877 137 R 3.9627 8.5381 117.0005 59.5223 30.0846 179.1745 138 Q 4.0340 8.2626 119.3278 59.3278 29.1245 177.9456 139 H 4.3107 8.3333 117.2215 58.5076 28.7609 177.6175 140 A 4.0174 8.0918 122.2680 55.2912 18.2278 179.8544 141 R 3.8404 8.0380 116.5897 59.5107 30.1345 179.0268 142 D 4.3289 8.3123 118.7343 57.3207 40.7434 179.0399 143 V 3.4890 7.6124 118.2786 66.0250 31.2752 178.1518 144 L 3.8596 7.4798 117.4085 57.7061 41.4396 178.9719 145 D 4.4626 8.0107 118.3660 57.5011 40.8472 178.5239 146 Q 4.1636 7.9441 117.6790 55.8171 28.9280 176.6546 147 G 3.8379 7.9708 109.3247 45.7698 0.0000 173.1948 148 L 4.7454 8.0593 124.0223 54.6603 43.2186 175.8906 149 K 4.5422 8.0548 115.3909 56.1000 36.3629 174.5665 150 V 4.4124 8.3654 121.7416 62.5153 32.2531 174.7259 151 Q 4.4649 8.6920 130.3842 54.4033 29.7081 175.2428 152 E 4.1409 8.6054 124.5267 56.0904 30.7244 176.3425 153 T 4.0856 8.1937 117.7562 63.1258 68.9739 174.3693 154 I 4.2790 8.0840 128.2401 59.7374 38.4851 175.6019 155 L 4.7423 8.3917 127.2874 54.4132 42.5828 177.0273 156 L 4.3477 8.3173 121.9991 54.1341 43.0938 177.0435 157 E 4.1285 8.5033 119.6242 56.6063 29.6630 175.8160 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 7 V 7.91 4.37 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 1.18 0.00 0.00 1.00 0.00 0.00 8 E 8.02 3.92 0.00 2.12 1.92 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 2.49 2.34 0.00 9 S 8.20 4.44 0.00 3.76 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 10 F 8.22 4.45 0.00 2.98 2.84 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 11 D 8.70 4.74 0.00 2.86 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 12 L 7.95 4.53 0.00 1.74 1.58 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.17 4.76 0.00 2.79 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 14 H 9.12 4.40 0.00 3.17 3.43 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.92 4.24 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 1.25 0.00 0.00 16 K 7.68 4.35 0.00 1.79 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.53 7.81 17 V 7.52 4.02 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 0.59 0.00 0.00 1.15 0.00 0.00 18 K 8.93 4.58 0.00 1.74 1.79 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.50 7.81 19 A 9.20 4.58 1.37 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 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.80 0.00 2.03 2.26 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 21 Y 7.90 5.11 0.00 3.26 3.14 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 22 V 8.71 5.10 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 0.96 0.00 0.00 1.05 0.00 0.00 23 R 8.98 4.98 0.00 1.96 1.97 0.00 3.14 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 24 L 9.67 4.40 0.00 1.79 1.79 0.54 1.23 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 25 A 9.18 4.42 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 26 G 6.44 3.39 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 0.00 27 V 8.35 4.90 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 0.75 0.00 0.00 0.90 0.00 0.00 28 K 9.05 4.69 0.00 1.80 1.59 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.43 7.81 29 T 8.46 5.02 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 30 T 8.86 4.35 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 31 P 0.00 4.22 0.00 2.06 2.16 0.00 3.67 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 2.03 2.11 0.00 32 K 8.01 4.22 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.43 7.81 33 G 8.25 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.10 4.80 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.52 5.08 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 36 I 8.92 4.79 1.94 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 1.23 0.78 0.90 0.00 0.00 37 S 9.13 4.68 0.00 3.75 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 38 K 8.21 4.54 0.00 1.45 1.52 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.25 7.81 39 Y 8.00 5.08 0.00 2.71 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 40 D 9.47 4.76 0.00 2.86 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 41 L 8.36 4.64 0.00 1.43 0.64 0.47 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.30 4.30 0.00 1.41 0.66 0.00 3.24 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.57 0.00 43 F 9.42 4.17 0.00 3.02 3.15 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 44 L 8.14 4.84 0.00 1.53 1.62 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.53 4.11 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 46 P 0.00 4.37 0.00 2.31 2.15 0.00 3.97 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 47 N 9.03 4.32 0.00 2.91 2.94 0.00 0.00 6.94 7.69 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 48 Q 9.24 4.49 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 49 G 7.11 4.35 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 0.00 50 A 7.70 4.82 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 51 I 8.44 4.13 1.78 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.54 0.75 0.00 0.00 52 D 8.67 4.45 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.12 2.07 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 54 A 8.20 4.29 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 55 A 7.92 3.97 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 56 I 7.96 3.54 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.11 0.93 0.00 0.00 57 H 8.23 4.20 0.00 3.29 3.38 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 58 T 7.97 3.89 4.41 0.00 0.00 0.00 0.00 0.00 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 59 L 8.20 4.05 0.00 1.81 1.72 0.66 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.31 3.96 0.00 2.17 2.32 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 2.36 2.39 0.00 61 H 7.96 4.15 0.00 3.32 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.17 3.94 0.00 1.78 1.82 0.98 0.17 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 63 L 8.22 4.18 0.00 1.78 1.88 1.28 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.77 4.24 1.37 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 0.00 0.00 0.00 0.00 0.00 65 G 7.75 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.61 5.35 0.00 3.19 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 *68 R 8.03 4.31 0.00 1.98 2.04 0.00 3.31 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 69 D 7.90 4.49 0.00 2.71 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 70 H 7.63 5.03 0.00 3.24 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.56 4.66 0.00 1.53 1.49 0.89 0.85 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 72 E 8.75 4.29 0.00 2.01 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 2.29 2.31 0.00 73 G 8.77 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 74 V 7.62 3.86 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 0.82 0.00 0.00 0.97 0.00 0.00 75 V 8.99 3.83 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 0.87 0.00 0.00 0.95 0.00 0.00 76 D 7.22 4.46 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.47 4.59 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 0.88 0.00 0.00 0.95 0.00 0.00 78 S 9.52 4.97 0.00 3.85 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 79 P 0.00 4.59 0.00 2.03 1.84 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 *81 G 8.88 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 82 C 7.96 4.08 0.00 3.12 3.19 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 0.00 0.00 0.00 0.00 83 R 7.47 3.99 0.00 2.19 2.11 0.00 3.23 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 84 T 7.00 4.54 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 1.34 0.00 0.00 85 G 7.01 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 8.17 4.76 0.00 3.09 3.03 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 *89 A 8.14 4.38 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 9.05 4.80 2.31 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 1.04 0.00 0.00 1.00 0.00 0.00 91 I 9.07 4.42 1.89 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 1.17 0.81 0.92 0.00 0.00 92 G 8.54 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 0.00 0.00 0.00 0.00 93 E 8.04 4.20 0.00 2.12 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 2.32 2.30 0.00 94 P 0.00 4.43 0.00 2.12 2.11 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 95 D 9.31 4.87 0.00 2.75 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 96 E 8.43 4.12 0.00 2.08 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 0.00 2.62 2.50 0.00 97 Q 8.31 4.11 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 98 G 8.34 3.80 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 0.00 0.00 0.00 99 V 7.69 3.43 1.58 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 0.51 0.00 0.00 0.02 0.00 0.00 *101 K 8.24 4.22 0.00 1.84 1.86 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.56 1.38 7.81 102 A 8.12 3.95 1.46 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 0.00 0.00 103 F 8.59 4.38 0.00 3.00 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 0.00 104 E 8.17 3.56 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 105 A 7.97 3.83 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 0.00 106 A 8.43 4.04 1.57 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 0.00 0.00 107 L 8.01 3.94 0.00 1.53 1.48 -0.22 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.77 3.98 0.00 1.85 1.75 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.58 7.81 109 D 7.46 4.03 0.00 1.94 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.79 4.18 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 1.35 0.00 0.00 111 A 8.37 4.32 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 0.00 112 G 7.63 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 0.00 0.00 0.00 0.00 113 H 8.07 4.56 0.00 3.51 3.47 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.41 4.88 0.00 2.77 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 0.00 115 Q 7.34 4.55 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 116 P 0.00 4.42 0.00 2.05 2.00 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 117 I 8.10 3.91 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 1.46 0.46 0.77 0.00 0.00 118 P 0.00 4.31 0.00 2.12 2.01 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 119 G 8.55 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.56 4.09 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 0.90 0.00 0.00 0.77 0.00 0.00 121 S 7.76 4.25 0.00 3.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.01 4.08 0.00 2.12 1.70 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 2.09 2.25 0.00 123 L 7.83 4.16 0.00 1.62 1.73 0.88 0.84 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 0.00 124 E 8.01 4.51 0.00 2.17 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 2.23 2.20 0.00 125 C 8.15 4.95 0.00 3.27 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.85 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 0.00 127 N 7.81 4.90 0.00 2.72 2.61 0.00 0.00 6.93 7.56 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 0.00 128 Y 8.08 4.30 0.00 3.11 3.27 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 0.00 129 R 7.27 4.05 0.00 1.58 1.85 0.00 2.92 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 130 D 8.10 4.76 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.75 5.18 0.00 3.11 3.08 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.77 4.61 0.00 2.63 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 0.00 133 L 8.54 3.95 0.00 1.82 1.68 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.14 3.97 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 0.00 135 A 8.38 3.97 1.37 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 0.00 0.00 0.00 0.00 0.00 136 A 8.09 4.01 1.46 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 0.00 0.00 137 R 8.54 3.96 0.00 1.99 2.03 0.00 3.42 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 138 Q 8.26 4.03 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 139 H 8.33 4.31 0.00 3.57 3.61 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.09 4.02 1.48 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 0.00 0.00 0.00 141 R 8.04 3.84 0.00 2.04 1.97 0.00 3.30 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 142 D 8.31 4.33 0.00 2.88 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 0.00 143 V 7.61 3.49 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 0.69 0.00 0.00 0.55 0.00 0.00 144 L 7.48 3.86 0.00 1.73 1.62 0.81 0.90 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 0.00 145 D 8.01 4.46 0.00 2.77 2.71 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 0.00 146 Q 7.94 4.16 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.33 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 147 G 7.97 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 0.00 148 L 8.06 4.75 0.00 1.52 1.65 0.73 0.97 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 0.00 149 K 8.05 4.54 0.00 1.86 1.89 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.54 7.81 150 V 8.37 4.41 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 0.81 0.00 0.00 0.98 0.00 0.00 151 Q 8.69 4.46 0.00 1.50 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 152 E 8.61 4.14 0.00 2.06 1.88 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 2.21 2.26 0.00 153 T 8.19 4.09 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 1.22 0.00 0.00 154 I 8.08 4.28 1.85 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 1.29 0.93 0.89 0.00 0.00 155 L 8.39 4.74 0.00 1.51 1.59 0.97 0.99 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 0.00 156 L 8.32 4.35 0.00 1.78 1.63 0.99 0.72 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 0.00 157 E 8.50 4.13 0.00 1.93 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 2.26 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.