NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8079 8.3549 109.7377 45.5345 0.0000 174.1488 *2 R 4.5041 7.7331 119.8521 54.6935 33.6333 175.4124 3 G 4.5161 8.4344 105.9631 44.0704 0.0000 171.5251 4 L 5.3594 9.2930 126.1425 53.2547 44.9686 174.9589 5 I 4.9555 9.1035 128.2004 59.7514 39.4905 175.3021 6 V 4.8997 8.8238 120.4075 59.3229 35.5691 175.1147 7 D 4.7712 8.4123 122.8669 53.9619 42.4794 175.2345 8 Y 4.0484 8.6255 121.2775 59.1238 39.8288 174.8033 9 A 4.4374 7.1744 122.3453 52.8887 19.0576 177.9088 10 G 4.0072 9.6148 112.2495 45.4657 0.0000 173.5181 11 V 3.5720 7.2508 115.7384 63.9381 33.0812 176.0825 12 L 4.0266 7.6033 116.0786 54.2827 42.0108 176.5943 13 D 4.7876 7.2304 118.8257 52.7396 40.3706 176.5404 14 G 4.2733 7.8052 113.9456 46.4473 0.0000 174.5432 15 T 4.1272 8.3419 112.7029 61.6019 70.8389 174.9609 16 D 4.3181 8.5219 120.9908 57.2866 40.8001 178.5508 17 E 3.8610 8.1223 119.3560 59.5533 29.6882 178.5444 18 D 4.1084 7.9695 118.6440 57.4101 40.8021 178.8849 19 Q 4.1474 8.4249 118.8163 58.8894 28.6851 178.8478 20 R 3.9375 8.2274 119.3168 59.4441 30.1309 179.2563 21 R 3.8429 7.9150 117.6919 59.0981 29.8790 179.2500 22 W 4.3094 8.3274 118.7482 59.8380 29.0448 178.8802 23 R 4.1067 8.4991 118.3468 59.2198 29.4638 178.6684 24 N 4.4309 8.3716 117.0496 56.4512 38.9312 176.7786 25 L 3.7346 8.3172 121.8418 58.2225 42.1552 178.9919 26 L 4.0120 8.6080 119.1575 57.6805 41.5427 179.3960 27 A 3.9869 8.3510 120.6220 55.1345 18.4810 179.5262 28 A 4.0189 8.3371 119.1488 55.1176 18.4347 179.7674 29 A 3.7423 8.1130 119.3939 55.0934 18.3949 179.5641 30 K 3.7740 8.1545 118.3562 59.8814 32.0173 179.0853 31 K 4.0005 7.8972 117.1339 59.2383 32.0023 178.1774 32 N 4.7410 7.8358 113.7916 53.1406 38.5621 175.9342 33 G 3.8750 8.0761 108.9897 45.4079 0.0000 173.7207 34 V 3.9147 7.6549 120.2832 62.2396 32.1139 176.2483 35 G 4.0202 8.9521 115.9527 46.2384 0.0000 172.4321 36 T 5.2609 9.2385 113.2493 59.6168 72.0269 172.9772 37 V 4.8231 8.8750 125.0009 61.1257 35.5034 173.9259 38 I 4.6827 8.6568 128.6973 60.1324 38.4083 174.3777 39 L 5.0916 8.9691 129.8665 53.4149 44.2646 174.8148 40 S 5.0684 8.7949 121.2979 55.4301 65.7948 172.8696 41 N 4.9675 8.8250 124.3375 53.0426 38.5177 173.7517 42 D 4.6578 8.7924 122.4583 52.4589 44.8095 174.7799 43 P 4.1431 0.0000 0.0000 63.6389 32.1467 177.7399 44 G 3.7967 8.7317 106.6314 45.7783 0.0000 173.0199 45 G 3.7996 8.9913 108.7223 45.2903 0.0000 173.9536 46 L 3.9060 8.5698 119.2624 58.1353 42.2676 180.6125 47 G 3.5890 8.0703 105.8111 47.8472 0.0000 174.1311 48 A 4.3871 7.9718 120.8833 51.9700 18.8614 178.3789 49 A 3.8861 7.8029 123.9735 55.7901 18.0972 178.7920 50 P 4.1399 0.0000 0.0000 65.6535 31.6301 178.6862 51 I 3.3522 7.1337 118.0488 64.2178 37.1947 178.2035 52 R 3.9023 8.0337 121.9126 60.0141 29.7813 178.7734 53 E 4.0093 8.3222 118.2514 61.1939 29.5759 182.3526 54 L 4.3556 7.9297 118.5644 57.5568 41.5880 179.3046 55 E 4.1208 7.7956 120.2844 58.9239 29.6036 178.3526 56 T 3.8417 7.5428 114.2610 66.9847 68.5346 174.9564 57 N 4.5183 8.5155 115.3250 53.3515 38.6233 176.1647 58 G 3.9331 8.1095 106.7335 45.6159 0.0000 175.0968 59 V 3.7226 7.7785 120.5468 64.9673 31.4259 176.3587 60 V 4.5992 7.3130 110.7396 59.1610 35.2344 176.0346 61 D 4.4837 8.5616 121.4415 57.2923 41.1291 177.3748 62 K 4.8640 8.1650 115.4811 54.8618 37.2077 175.5074 63 V 4.7249 8.7684 122.7510 61.0995 33.8988 174.7016 64 L 4.8339 9.2150 127.7104 52.8314 44.9931 175.3318 65 L 5.1327 8.3040 123.0016 52.6918 44.5608 177.4123 66 S 4.2984 8.7119 119.2024 60.6908 62.8543 177.1547 67 G 3.7926 8.0781 108.1212 46.8916 0.0000 173.9557 68 E 4.3604 7.9963 118.5679 57.7351 30.5147 177.5701 69 L 3.9951 7.7695 117.9445 55.7068 41.9007 178.2167 70 G 3.9730 8.6584 104.9912 45.4028 0.0000 173.2635 71 V 4.6369 7.1712 111.7373 59.3963 35.8932 174.0024 72 E 4.6345 9.0654 118.8155 53.9508 32.6294 175.4729 73 K 3.9148 8.4753 120.0916 56.2387 32.5066 175.2171 74 P 4.7427 0.0000 0.0000 62.6829 31.7484 175.8903 75 E 4.0083 8.0760 119.8804 56.7433 30.0281 177.5060 76 E 4.1204 9.1526 123.4618 59.7259 29.6052 178.9002 77 A 3.9758 8.1406 119.7979 55.1449 18.3681 179.4447 78 A 3.7865 7.7954 119.1254 55.3936 18.3997 179.8814 79 F 4.3720 7.4176 115.8355 60.7757 39.0091 177.4867 80 Q 3.9907 8.6556 119.4326 59.1662 28.8392 178.2867 81 A 4.0245 8.1854 121.6098 54.9769 18.3595 179.5143 82 A 3.9399 8.0387 118.8531 55.1378 18.5157 179.6999 83 A 3.9684 8.3062 119.4680 55.5923 18.5145 179.3554 84 D 4.3509 8.5739 117.5801 57.7909 40.6899 179.1962 85 A 4.1065 8.0147 120.1922 53.9814 18.2957 178.1491 86 I 4.3137 6.9225 108.1501 60.1592 37.9453 175.1753 87 D 4.4427 8.0916 118.2837 56.2671 38.5298 173.4982 88 L 5.0362 7.7893 116.5183 52.0211 46.5743 177.6665 89 P 4.8063 0.0000 0.0000 62.4201 30.4202 179.8373 *91 R 5.0058 8.4292 111.2215 55.9312 31.2353 175.8037 92 D 4.7278 8.0581 117.5055 54.4030 41.3355 175.1280 93 C 5.3830 7.7226 117.3587 57.9648 31.7926 172.6410 94 V 4.7966 8.8917 122.2606 61.2747 33.5214 174.0359 95 L 5.1687 8.8484 130.0984 53.4023 44.5126 174.8386 96 V 4.9951 8.8983 126.6474 61.3078 33.8038 173.7534 97 D 5.0640 8.8651 126.0764 53.2434 44.8399 175.2496 98 D 5.2422 8.9328 122.2808 53.2715 40.3758 176.3069 99 S 4.7871 8.6441 116.4916 56.8923 63.8650 174.0494 100 I 3.5441 8.4523 129.5298 64.1551 37.7558 177.5666 101 L 4.0858 7.9378 119.3977 57.9070 41.4792 179.1361 102 N 4.5504 8.0962 115.9929 56.2384 38.6121 177.5484 103 V 3.5811 8.0665 119.7713 65.9755 31.5862 178.0966 104 R 3.9516 8.5834 119.0447 59.3181 30.0534 178.4785 105 G 3.8122 8.3572 105.4156 47.9303 0.0000 175.4778 106 A 3.1184 7.8270 122.9387 54.5612 18.3496 179.8263 107 V 3.9075 7.6187 118.1003 65.7708 31.3546 178.1006 108 E 3.9868 8.2540 117.1430 59.1621 29.3839 178.5728 109 A 4.2781 7.6007 118.4182 52.7691 18.9886 178.1309 110 G 3.9306 8.0667 106.0766 44.6522 0.0000 173.7510 111 L 4.5632 7.7704 120.1560 54.0735 43.5565 175.9876 112 V 4.0135 8.5017 120.9963 62.3645 32.6532 174.8893 113 G 4.4178 8.6065 114.7971 44.5230 0.0000 172.8665 114 V 4.5336 8.8145 123.4395 60.9009 34.6233 173.7068 115 Y 4.9572 8.8825 130.0258 57.6147 39.8528 174.0318 116 Y 4.2037 8.8446 129.3767 56.6085 38.9940 175.0252 117 Q 4.0816 8.0344 127.9103 56.5105 31.3138 176.3207 118 Q 4.3206 6.9596 114.4868 53.1051 32.8127 175.0802 119 F 3.7431 8.6953 124.6821 61.7740 39.2577 177.1859 120 D 4.4869 8.1197 116.5769 57.2363 40.9231 178.5395 121 R 3.9414 7.4828 118.6201 59.3783 30.2446 178.4052 122 A 4.0246 7.6089 120.8054 54.9501 18.2336 179.8648 123 V 3.1056 7.6168 118.1739 64.6620 31.1843 178.6805 124 V 3.5322 7.2226 117.3843 65.8930 31.3331 177.8757 125 E 3.8991 7.9970 117.5366 59.4170 29.4958 179.2966 126 I 3.7314 7.6819 119.6592 64.5044 37.3119 178.5982 127 V 3.6668 8.0738 119.5493 65.9965 31.2194 178.3242 128 G 3.5594 8.0757 105.4075 47.8011 0.0000 175.7585 129 L 3.9101 7.7968 120.4956 56.7920 41.6743 178.7077 130 F 4.6957 7.8329 114.6549 56.1888 39.6342 175.9565 131 G 3.9318 7.7028 105.1818 46.4757 0.0000 174.2994 132 L 4.3225 7.7918 118.4785 54.1599 42.4259 176.5741 133 E 4.5803 8.8194 120.8616 55.9957 31.3021 176.1391 134 G 3.7076 8.9203 108.2644 44.8057 0.0000 171.8821 135 E 4.5549 8.0050 117.6521 54.6607 30.8801 176.6407 136 F 4.3059 8.8124 121.1842 57.5883 39.4030 175.3874 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 0 G 8.35 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 *2 R 7.73 4.50 0.00 1.84 2.09 0.00 3.30 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 3 G 8.43 4.52 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 0.00 0.00 0.00 4 L 9.29 5.36 0.00 1.37 1.48 1.14 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 5 I 9.10 4.96 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 1.01 0.00 0.00 6 V 8.82 4.90 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 0.69 0.00 0.00 0.66 0.00 0.00 7 D 8.41 4.77 0.00 2.90 2.44 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 8 Y 8.63 4.05 0.00 3.03 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 9 A 7.17 4.44 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 10 G 9.61 4.01 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 0.00 0.00 0.00 11 V 7.25 3.57 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 0.02 0.00 0.00 0.67 0.00 0.00 12 L 7.60 4.03 0.00 0.94 1.27 0.71 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.23 4.79 0.00 2.61 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 0.00 0.00 0.00 14 G 7.81 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 0.00 0.00 0.00 0.00 15 T 8.34 4.13 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 16 D 8.52 4.32 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.12 3.86 0.00 2.00 1.90 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 2.27 2.34 0.00 18 D 7.97 4.11 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.42 4.15 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 20 R 8.23 3.94 0.00 1.97 1.97 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 21 R 7.91 3.84 0.00 1.08 1.17 0.00 2.91 0.00 0.00 2.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 22 W 8.33 4.31 0.00 3.70 3.24 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 23 R 8.50 4.11 0.00 2.07 2.05 0.00 3.17 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 24 N 8.37 4.43 0.00 2.93 3.09 0.00 0.00 6.83 6.78 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 25 L 8.32 3.73 0.00 1.95 1.89 0.22 -0.09 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 26 L 8.61 4.01 0.00 1.81 1.77 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.35 3.99 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 28 A 8.34 4.02 1.52 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 0.00 0.00 29 A 8.11 3.74 1.14 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 30 K 8.15 3.77 0.00 1.90 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 31 K 7.90 4.00 0.00 2.22 1.89 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.35 7.81 32 N 7.84 4.74 0.00 2.86 2.87 0.00 0.00 7.11 6.93 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 33 G 8.08 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 34 V 7.65 3.91 1.85 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 0.22 0.00 0.00 0.73 0.00 0.00 35 G 8.95 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 9.24 5.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 37 V 8.88 4.82 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 1.01 0.00 0.00 0.94 0.00 0.00 38 I 8.66 4.68 1.84 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 1.05 0.37 0.96 0.00 0.00 39 L 8.97 5.09 0.00 1.76 1.57 0.94 0.92 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 40 S 8.79 5.07 0.00 3.92 3.61 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 41 N 8.82 4.97 0.00 2.63 2.78 0.00 0.00 6.74 8.06 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 42 D 8.79 4.66 0.00 2.77 2.41 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 0.00 43 P 0.00 4.14 0.00 2.20 2.07 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 44 G 8.73 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 45 G 8.99 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 46 L 8.57 3.91 0.00 1.71 1.66 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.07 3.59 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 0.00 0.00 0.00 48 A 7.97 4.39 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 49 A 7.80 3.89 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 50 P 0.00 4.14 0.00 1.92 2.12 0.00 3.59 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 2.00 2.15 0.00 51 I 7.13 3.35 1.63 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.02 0.57 0.00 0.00 52 R 8.03 3.90 0.00 1.80 1.86 0.00 3.07 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 53 E 8.32 4.01 0.00 2.01 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 2.25 2.24 0.00 54 L 7.93 4.36 0.00 1.79 1.74 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.80 4.12 0.00 2.00 2.05 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 2.35 2.38 0.00 56 T 7.54 3.84 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 1.20 0.00 0.00 57 N 8.52 4.52 0.00 2.76 2.85 0.00 0.00 7.18 7.55 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 58 G 8.11 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 59 V 7.78 3.72 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 0.83 0.00 0.00 0.95 0.00 0.00 60 V 7.31 4.60 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 0.83 0.00 0.00 0.91 0.00 0.00 61 D 8.56 4.48 0.00 2.81 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 62 K 8.16 4.86 0.00 1.60 1.62 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.66 7.81 63 V 8.77 4.72 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.89 0.00 0.00 64 L 9.22 4.83 0.00 1.52 1.49 0.94 0.39 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 65 L 8.30 5.13 0.00 1.51 1.48 0.91 0.76 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 66 S 8.71 4.30 0.00 4.02 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 0.00 67 G 8.08 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 68 E 8.00 4.36 0.00 2.06 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 2.25 2.23 0.00 69 L 7.77 4.00 0.00 1.73 1.69 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.66 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 0.00 0.00 0.00 71 V 7.17 4.64 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 0.78 0.00 0.00 0.89 0.00 0.00 72 E 9.07 4.63 0.00 2.20 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 2.13 2.20 0.00 73 K 8.48 3.91 0.00 1.74 1.90 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.02 1.21 7.81 74 P 0.00 4.74 0.00 2.31 2.47 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 75 E 8.08 4.01 0.00 2.00 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 2.34 0.00 76 E 9.15 4.12 0.00 2.12 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 2.45 2.51 0.00 77 A 8.14 3.98 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 78 A 7.80 3.79 1.03 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 0.00 0.00 79 F 7.42 4.37 0.00 3.23 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 80 Q 8.66 3.99 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 81 A 8.19 4.02 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 82 A 8.04 3.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.97 1.45 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 0.00 0.00 0.00 84 D 8.57 4.35 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.01 4.11 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 86 I 6.92 4.31 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 1.51 0.86 0.92 0.00 0.00 87 D 8.09 4.44 0.00 2.86 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 88 L 7.79 5.04 0.00 1.63 1.55 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.81 0.00 2.23 1.78 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.96 0.00 *91 R 8.43 5.01 0.00 1.96 2.15 0.00 2.63 0.00 0.00 3.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 92 D 8.06 4.73 0.00 2.90 2.83 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 93 C 7.72 5.38 0.00 2.87 2.85 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 94 V 8.89 4.80 2.34 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 0.96 0.00 0.00 0.71 0.00 0.00 95 L 8.85 5.17 0.00 1.68 1.40 1.13 0.79 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 96 V 8.90 5.00 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 1.12 0.00 0.00 1.13 0.00 0.00 97 D 8.87 5.06 0.00 2.86 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 98 D 8.93 5.24 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.64 4.79 0.00 3.98 4.04 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 0.00 0.00 0.00 100 I 8.45 3.54 1.37 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.83 0.00 0.00 101 L 7.94 4.09 0.00 1.77 1.74 0.94 0.73 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 0.00 102 N 8.10 4.55 0.00 3.03 3.08 0.00 0.00 6.77 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.07 3.58 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 1.03 0.00 0.00 1.18 0.00 0.00 104 R 8.58 3.95 0.00 1.95 1.91 0.00 3.20 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 1.61 1.69 0.00 105 G 8.36 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.83 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.62 3.91 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 1.33 0.00 0.00 0.90 0.00 0.00 108 E 8.25 3.99 0.00 2.13 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 2.34 2.51 0.00 109 A 7.60 4.28 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 0.00 110 G 8.07 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 0.00 111 L 7.77 4.56 0.00 1.62 1.58 0.81 0.61 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 0.00 112 V 8.50 4.01 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 0.94 0.00 0.00 0.86 0.00 0.00 113 G 8.61 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 0.00 114 V 8.81 4.53 2.17 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 1.00 0.00 0.00 0.95 0.00 0.00 115 Y 8.88 4.96 0.00 2.94 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 0.00 116 Y 8.84 4.20 0.00 3.12 2.79 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 0.00 117 Q 8.03 4.08 0.00 1.39 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 118 Q 6.96 4.32 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 119 F 8.70 3.74 0.00 3.17 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 0.00 120 D 8.12 4.49 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.48 3.94 0.00 1.78 1.88 0.00 3.07 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 1.57 1.59 0.00 122 A 7.61 4.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.62 3.11 0.93 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 0.90 0.00 0.00 0.82 0.00 0.00 124 V 7.22 3.53 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 1.00 0.00 0.00 0.93 0.00 0.00 125 E 8.00 3.90 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 126 I 7.68 3.73 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 1.02 0.00 0.00 127 V 8.07 3.67 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 1.14 0.00 0.00 0.90 0.00 0.00 128 G 8.08 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.80 3.91 0.00 1.47 1.05 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 130 F 7.83 4.70 0.00 3.05 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 0.00 131 G 7.70 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 0.00 132 L 7.79 4.32 0.00 1.67 1.64 0.47 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.82 4.58 0.00 2.28 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.84 0.00 134 G 8.92 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 0.00 135 E 8.01 4.55 0.00 1.85 1.85 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 2.22 2.26 0.00 136 F 8.81 4.31 0.00 3.06 3.04 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.