NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1632 8.1633 120.7159 55.2834 34.0464 173.8878 2 R 4.9487 9.0659 118.9596 52.7380 34.5134 169.3846 3 V 4.9911 8.7875 122.6704 59.9260 35.6940 174.0497 4 V 4.9730 8.6735 123.5987 61.3687 33.7896 174.0660 5 I 5.0377 9.1914 129.1105 59.6536 39.8368 174.4886 6 Q 5.0615 8.8405 125.9119 53.8677 31.7015 174.9457 7 R 4.3688 8.5936 125.4945 56.3752 31.5080 175.6774 8 V 5.0145 8.9744 118.5433 59.7880 35.8195 176.4822 9 K 4.0983 9.2791 122.4918 58.1869 32.8530 177.0457 10 G 4.5633 7.6724 105.6709 45.6830 0.0000 171.8849 11 A 5.1914 8.4867 120.9339 50.6310 23.4513 175.8780 12 I 4.5941 8.6858 121.6078 59.4781 40.5628 173.8446 13 L 4.7547 9.2007 130.5521 53.9454 43.5326 175.6258 14 S 5.3311 8.8740 121.2338 57.0856 67.2838 173.2701 15 V 5.1483 8.7409 114.0541 59.5184 36.3170 174.9352 16 R 4.8067 8.4355 120.0922 55.7612 30.0436 176.7708 17 K 3.9256 8.6510 125.4836 57.4453 33.2752 176.5874 18 E 4.0847 9.1041 119.4534 58.5898 30.3025 179.2681 19 N 4.7132 7.8563 125.4971 51.9270 36.7199 177.2787 20 I 4.3736 7.5905 121.6176 58.7919 37.7489 176.3233 21 G 4.0666 8.5767 108.2807 45.8670 0.0000 174.1276 22 E 3.4339 8.0405 114.6521 56.9449 26.5814 176.9085 *25 K 4.1888 7.6040 123.4080 55.4197 33.9643 178.0370 26 E 4.5954 8.6881 119.7702 57.6581 31.7141 176.8515 27 L 5.1296 7.7606 118.5231 54.3135 43.8015 180.8377 28 E 4.5714 8.4137 117.7401 56.2575 33.3409 174.2160 29 I 4.5532 8.5644 129.1836 61.3681 37.4383 175.7628 30 I 4.5122 8.5084 119.8806 60.3001 39.1188 175.5559 31 S 4.5379 7.6386 114.4077 57.7627 65.5583 173.7749 32 E 5.2748 8.7813 127.2080 54.8842 32.6938 173.8140 33 I 4.8833 8.7706 118.5750 58.3789 41.6479 175.3593 34 K 5.0458 8.6532 127.6750 55.9196 30.7884 178.3122 35 N 4.6349 8.4464 124.9272 53.9773 39.2951 175.2468 36 G 4.6293 6.7899 106.3713 46.2584 0.0000 171.5877 37 L 5.2901 8.2686 120.4730 52.9897 45.5173 175.3325 38 I 4.6756 8.5975 121.9760 59.4029 40.6859 173.8647 39 C 5.1184 8.8187 127.6403 57.9608 30.8041 173.2534 40 F 4.8588 9.0195 124.4673 56.7733 39.8199 174.5976 41 L 5.0073 9.3557 127.7420 53.2515 44.2605 175.1651 42 G 4.3067 9.6275 115.2901 44.4493 0.0000 172.2397 43 I 4.9735 8.7231 121.2362 60.2344 39.3118 174.7526 44 H 3.9305 9.3778 128.0729 54.7549 30.7006 176.0205 45 K 3.7274 8.3874 127.3950 60.8158 32.2015 178.3558 46 N 4.8325 8.1911 114.3548 52.0001 37.8681 176.2274 47 D 4.7769 7.7896 120.1123 55.0895 41.7983 176.5423 48 T 4.6956 9.0609 113.9067 59.6906 71.1756 175.5048 49 W 4.6654 8.9754 133.2003 60.6852 30.6582 178.4633 50 E 4.0072 8.7198 119.0005 61.0714 29.1395 183.9939 51 D 4.5506 8.0013 118.6703 57.3777 40.9551 178.6303 52 A 3.8244 7.9703 120.5188 55.1379 18.3389 179.2514 53 L 3.4327 7.0964 117.2287 57.9824 41.5879 179.1023 54 Y 3.9154 7.8360 119.0893 61.1074 38.6437 177.8695 55 I 3.6323 7.6625 119.9896 64.4647 37.0146 178.2229 56 I 2.7984 7.6105 123.4170 65.0364 37.0019 178.8691 57 R 4.0573 7.6102 123.6720 61.5376 29.3945 183.3370 58 K 3.9754 7.9051 124.5569 59.8147 31.4419 181.0344 59 C 4.3715 8.5408 117.3590 62.3323 28.2151 175.3850 60 L 4.5235 7.4296 117.1320 55.0076 41.6978 176.8714 61 N 4.8856 7.6534 114.3480 53.3180 41.4073 175.1359 62 L 4.0253 8.1351 118.8402 55.3500 42.1502 177.1966 63 R 4.7545 8.4734 122.6486 55.5374 28.5396 176.2428 64 L 4.9403 8.2753 117.7721 53.8449 42.4995 176.3932 65 W 4.8629 8.2162 118.6368 54.9120 32.6476 175.3609 66 N 4.9116 8.3213 118.2065 53.6111 40.2592 172.7640 67 N 4.3066 8.5174 119.3180 54.3675 45.6286 175.7125 *70 K 4.1167 7.4176 116.6037 56.2778 33.3404 175.1191 71 T 4.5810 8.3304 111.5797 61.4437 70.7223 174.4445 72 W 3.7961 8.1917 121.2034 57.4300 26.9069 172.7379 73 D 4.8991 9.2486 121.1098 56.0863 42.9554 177.6948 74 K 4.8683 8.0926 121.4159 53.4717 35.1634 177.1615 75 N 5.8102 9.5922 121.1372 50.8394 40.0225 176.2667 76 V 3.3324 8.8185 117.8448 64.8746 31.2165 178.2242 77 K 3.4115 7.8948 118.5694 59.1707 31.6988 178.5101 78 D 4.3100 8.1483 117.7319 57.4593 40.9051 178.4397 79 L 3.7935 6.9221 115.4195 53.5260 42.1882 176.0769 80 N 4.2117 7.7076 116.1013 53.9802 37.5886 172.5196 81 Y 5.0507 7.8069 114.3434 56.9495 40.8780 175.9237 82 E 4.9436 8.6768 119.2742 55.1846 32.6132 175.4707 83 L 5.2421 8.6079 120.3510 52.9052 45.8670 175.4782 84 L 4.9133 8.6371 124.2216 53.4367 44.8179 174.8948 85 I 4.7323 8.7795 128.0250 59.6633 39.5056 174.9385 86 V 4.6561 8.4913 126.6391 60.7115 34.4146 174.5341 87 S 4.6244 8.5305 123.3526 58.6107 63.3150 173.4482 88 Q 4.3757 9.6392 128.8195 54.5905 30.9482 175.0073 89 F 4.6102 8.8415 122.2628 58.6241 38.7844 177.7029 90 T 3.3557 6.6388 111.3135 63.1964 68.8459 176.2624 91 L 3.8003 7.1412 121.5665 58.1481 41.5507 178.3268 92 F 4.6522 7.7273 112.9036 57.9056 38.4457 175.6444 93 G 3.8046 8.1755 111.0258 45.7325 0.0000 173.0666 94 N 4.5532 9.1727 126.9741 53.2968 39.4164 175.5978 95 T 4.4434 8.3050 117.4778 62.0555 69.7168 175.7147 96 K 4.2676 8.1356 127.9802 58.4007 33.4227 183.0181 97 K 4.4859 7.7048 117.4283 54.2957 30.8259 183.8064 98 G 3.9687 8.7412 109.4151 46.2325 0.0000 172.6706 99 N 4.7154 8.2793 115.4370 52.6550 38.2243 175.7262 100 K 4.5717 7.4672 117.2819 54.2246 35.8151 174.6611 101 P 4.9116 0.0000 0.0000 63.6055 32.9939 174.5917 102 D 4.0882 6.7927 114.3773 54.9863 43.4125 177.7598 103 F 5.3471 7.8329 132.1998 58.0716 39.5530 178.5272 *104 H 4.2963 8.1660 119.2922 57.5144 28.3232 178.6114 105 L 4.0743 7.9485 116.6714 55.1601 41.7217 175.7421 106 A 4.4811 7.6304 122.3381 50.6471 18.9539 177.6064 107 K 3.6966 8.3248 126.3117 58.0960 32.9092 177.0358 108 E 3.8184 9.2420 125.3706 57.0181 30.3281 172.7382 109 P 3.9889 0.0000 0.0000 64.4006 31.3427 177.7663 110 N 4.0474 8.2380 114.9515 56.8093 38.6875 177.3816 111 E 3.8760 8.1127 118.8735 59.2171 29.8122 178.6073 112 A 4.1624 7.9952 120.8819 55.3892 18.3543 179.1827 113 L 3.0672 8.6545 119.6593 58.2194 41.8475 179.4269 114 I 3.7006 7.2937 119.0802 64.3613 37.0745 177.8086 115 F 4.2292 8.2948 121.6256 61.8225 39.1025 176.3591 116 Y 4.2512 8.9899 118.9613 61.2048 38.7024 177.8548 117 N 4.3874 8.9013 119.8742 56.9568 38.6278 178.2293 118 K 4.0023 8.4809 125.3924 59.7016 31.6911 181.7966 119 I 3.9113 7.8848 121.3991 64.4705 37.2115 178.4916 120 I 3.8135 7.7126 120.4892 64.5383 36.8066 178.2057 121 D 4.3838 8.2283 119.5606 57.3464 40.7190 178.2390 122 E 3.9783 8.3009 119.7243 59.4620 29.5661 178.5279 123 F 4.0325 8.3882 117.9468 60.9505 38.8520 178.0485 124 K 4.1058 7.9161 115.7252 59.4239 31.8957 179.1714 125 K 4.0632 8.1214 117.8971 59.9201 32.1260 178.9004 126 Q 4.1725 8.6670 117.7269 56.6365 28.7353 177.9047 127 Y 4.8569 9.1064 115.7002 56.5240 39.2174 177.5959 128 N 5.0136 8.3780 114.6481 51.3351 42.1529 173.2690 129 D 4.2560 8.9194 124.7869 57.3227 41.1835 176.6626 130 D 4.5607 8.6009 116.1007 54.5710 41.7186 176.3328 131 K 4.3219 7.8987 117.3053 57.2119 34.0279 175.8564 132 I 4.7529 7.5673 120.9405 59.8005 38.5244 175.3163 133 K 4.8595 8.7388 125.5440 54.6607 36.4387 175.1130 134 I 5.3524 7.6135 114.4028 58.9589 41.3158 173.2697 135 G 4.0419 8.4784 110.5475 44.0405 0.0000 172.4646 136 K 4.3312 8.2523 121.5986 54.2629 32.0205 175.9747 137 F 3.7240 8.8867 128.2464 59.8528 39.4177 175.8826 138 G 3.9433 7.8985 113.6148 46.1240 0.0000 173.2082 139 N 4.7887 7.7019 116.7519 51.9986 39.9798 174.1255 140 Y 4.1995 8.4949 122.2041 58.0829 39.8104 174.5093 141 M 5.0414 7.9212 125.1659 53.4207 36.1446 174.7918 142 N 4.7112 8.9178 117.9623 52.2279 42.0986 172.9082 143 I 4.8393 8.4057 127.2507 59.7190 39.7245 175.3239 144 D 4.7058 8.7041 127.7000 53.1115 41.5091 175.2899 145 V 4.6300 8.2323 123.5109 61.6117 33.6101 175.6297 146 T 4.4864 8.6491 124.9986 61.6850 69.4038 172.8109 147 N 4.7860 8.6222 123.8589 53.3435 39.3752 175.2069 148 D 4.2710 10.1207 125.4242 51.5878 39.8926 176.1346 149 G 4.4227 8.2486 117.0982 45.3198 0.0000 169.7277 150 P 4.4264 0.0000 0.0000 61.0457 33.1990 176.0855 151 V 4.4286 8.0886 118.0802 61.7787 34.2513 173.9525 152 T 5.1739 8.6918 124.5954 61.8066 71.0552 173.7382 153 I 4.6244 8.9174 127.1133 59.5309 40.5567 173.8018 154 Y 5.2858 8.7205 127.1759 55.9154 41.2794 174.6923 155 I 4.4288 7.8679 125.7622 59.4148 41.6359 173.7396 156 D 5.0372 8.3200 125.2971 52.5034 43.5878 175.4368 157 T 4.1463 8.8258 116.0989 62.0456 69.5044 174.5789 158 H 4.9574 8.0842 118.9582 56.6952 29.4184 174.9739 159 D 4.5214 7.5816 124.4635 54.5428 41.2418 176.1597 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 1 M 8.16 5.16 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.07 4.95 0.00 1.27 1.67 0.00 2.61 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 3 V 8.79 4.99 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 0.74 0.00 0.00 1.05 0.00 0.00 4 V 8.67 4.97 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 1.07 0.00 0.00 1.07 0.00 0.00 5 I 9.19 5.04 1.90 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 0.71 0.92 0.00 0.00 6 Q 8.84 5.06 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 7 R 8.59 4.37 0.00 1.72 1.69 0.00 2.21 0.00 0.00 2.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.09 0.00 8 V 8.97 5.01 2.33 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 0.91 0.00 0.00 0.95 0.00 0.00 9 K 9.28 4.10 0.00 1.58 1.84 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.47 1.54 7.81 10 G 7.67 4.56 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 11 A 8.49 5.19 1.15 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 12 I 8.69 4.59 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 1.10 1.09 0.91 0.00 0.00 13 L 9.20 4.75 0.00 1.64 1.59 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.87 5.33 0.00 3.91 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 15 V 8.74 5.15 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 1.09 0.00 0.00 1.00 0.00 0.00 16 R 8.44 4.81 0.00 1.80 2.04 0.00 3.07 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 17 K 8.65 3.93 0.00 1.83 1.87 0.00 1.84 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.41 7.81 18 E 9.10 4.08 0.00 2.01 1.76 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 2.23 1.87 0.00 19 N 7.86 4.71 0.00 2.74 2.67 0.00 0.00 6.48 7.72 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 20 I 7.59 4.37 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 1.35 1.14 0.91 0.00 0.00 21 G 8.58 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.04 3.43 0.00 2.18 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 2.11 1.86 0.00 *25 K 7.60 4.19 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 26 E 8.69 4.60 0.00 1.64 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 2.24 1.86 0.00 27 L 7.76 5.13 0.00 1.41 1.47 0.92 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 28 E 8.41 4.57 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 29 I 8.56 4.55 1.88 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 1.41 0.66 0.97 0.00 0.00 30 I 8.51 4.51 1.89 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 1.28 0.68 0.97 0.00 0.00 31 S 7.64 4.54 0.00 3.89 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.78 5.27 0.00 1.95 1.72 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 2.17 2.44 0.00 33 I 8.77 4.88 1.83 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 1.18 1.12 0.91 0.00 0.00 34 K 8.65 5.05 0.00 1.72 1.26 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.50 7.81 35 N 8.45 4.63 0.00 1.44 1.65 0.00 0.00 6.73 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 6.79 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 0.00 0.00 0.00 0.00 37 L 8.27 5.29 0.00 1.67 1.60 1.07 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.60 4.68 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.20 0.90 0.00 0.00 39 C 8.82 5.12 0.00 2.76 2.82 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 40 F 9.02 4.86 0.00 3.00 2.94 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 41 L 9.36 5.01 0.00 1.88 1.78 1.11 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.63 4.31 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 0.00 43 I 8.72 4.97 2.09 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.05 1.38 0.00 0.00 44 H 9.38 3.93 0.00 2.92 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.39 3.73 0.00 1.81 1.88 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.37 7.81 46 N 8.19 4.83 0.00 2.76 2.72 0.00 0.00 6.69 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 47 D 7.79 4.78 0.00 2.62 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 0.00 0.00 0.00 48 T 9.06 4.70 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 1.29 0.00 0.00 49 W 8.98 4.67 0.00 3.55 3.22 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 50 E 8.72 4.01 0.00 2.00 1.94 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 2.24 2.22 0.00 51 D 8.00 4.55 0.00 3.10 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 52 A 7.97 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.10 3.43 0.00 1.65 1.56 0.95 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.84 3.92 0.00 3.02 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 55 I 7.66 3.63 1.98 0.00 0.00 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 1.80 1.04 1.01 0.00 0.00 56 I 7.61 2.80 1.48 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.16 -0.34 0.00 0.00 57 R 7.61 4.06 0.00 1.85 1.91 0.00 3.28 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 58 K 7.91 3.98 0.00 1.73 1.86 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 59 C 8.54 4.37 0.00 3.22 3.34 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 60 L 7.43 4.52 0.00 1.65 1.61 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.65 4.89 0.00 2.79 2.75 0.00 0.00 7.00 7.85 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 62 L 8.14 4.03 0.00 1.70 1.61 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.47 4.75 0.00 2.07 2.13 0.00 3.14 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.70 0.00 64 L 8.28 4.94 0.00 0.80 1.38 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.22 4.86 0.00 3.54 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 66 N 8.32 4.91 0.00 2.63 2.79 0.00 0.00 6.83 8.00 0.00 0.00 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 N 8.52 4.31 0.00 2.77 2.78 0.00 0.00 6.99 7.11 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 *70 K 7.42 4.12 0.00 2.03 1.80 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.45 7.81 71 T 8.33 4.58 3.96 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 1.12 0.00 0.00 72 W 8.19 3.80 0.00 3.43 3.34 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 73 D 9.25 4.90 0.00 2.79 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 74 K 8.09 4.87 0.00 1.46 1.63 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 0.97 7.81 75 N 9.59 5.81 0.00 2.95 3.21 0.00 0.00 6.63 7.53 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 76 V 8.82 3.33 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 0.94 0.00 0.00 1.12 0.00 0.00 77 K 7.89 3.41 0.00 1.79 1.68 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.81 7.81 78 D 8.15 4.31 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 6.92 3.79 0.00 0.27 0.13 -0.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.71 4.21 0.00 2.74 2.81 0.00 0.00 7.08 8.24 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 81 Y 7.81 5.05 0.00 2.80 2.81 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 82 E 8.68 4.94 0.00 1.95 1.84 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 2.22 2.28 0.00 83 L 8.61 5.24 0.00 1.51 1.38 1.16 0.61 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 84 L 8.64 4.91 0.00 1.66 1.38 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.78 4.73 1.78 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.45 0.92 0.00 0.00 86 V 8.49 4.66 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.81 0.00 0.00 87 S 8.53 4.62 0.00 2.98 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 88 Q 9.64 4.38 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 89 F 8.84 4.61 0.00 3.36 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 90 T 6.64 3.36 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 0.09 0.00 0.00 91 L 7.14 3.80 0.00 1.27 1.45 0.94 0.74 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 92 F 7.73 4.65 0.00 3.46 3.18 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 0.00 0.00 0.00 0.00 93 G 8.18 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 94 N 9.17 4.55 0.00 2.78 2.65 0.00 0.00 6.44 6.87 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 95 T 8.30 4.44 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 1.15 0.00 0.00 96 K 8.14 4.27 0.00 1.83 1.76 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.25 7.81 97 K 7.70 4.49 0.00 1.77 0.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.01 7.81 98 G 8.74 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 99 N 8.28 4.72 0.00 2.71 2.83 0.00 0.00 6.55 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 0.00 100 K 7.47 4.57 0.00 1.63 1.58 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.41 7.81 101 P 0.00 4.91 0.00 1.45 1.79 0.00 3.80 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 102 D 6.79 4.09 0.00 2.56 2.50 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 0.00 103 F 7.83 5.35 0.00 3.34 3.30 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 *104 H 8.17 4.30 0.00 2.88 2.98 0.00 7.20 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.95 4.07 0.00 1.61 1.25 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.63 4.48 1.56 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 0.00 107 K 8.32 3.70 0.00 1.79 1.94 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.57 1.42 7.81 108 E 9.24 3.82 0.00 1.70 1.83 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 2.31 1.92 0.00 109 P 0.00 3.99 0.00 2.18 2.12 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 110 N 8.24 4.05 0.00 2.71 2.87 0.00 0.00 6.92 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 0.00 111 E 8.11 3.88 0.00 2.15 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 2.41 2.38 0.00 112 A 8.00 4.16 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.65 3.07 0.00 0.42 1.33 0.46 0.79 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 0.00 114 I 7.29 3.70 1.96 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 1.40 0.78 0.93 0.00 0.00 115 F 8.29 4.23 0.00 3.16 3.47 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 0.00 116 Y 8.99 4.25 0.00 3.51 3.42 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 0.00 117 N 8.90 4.39 0.00 2.96 2.91 0.00 0.00 7.25 8.19 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 0.00 118 K 8.48 4.00 0.00 1.74 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 I 7.88 3.91 1.94 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 1.12 0.42 0.97 0.00 0.00 120 I 7.71 3.81 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.01 0.90 0.00 0.00 121 D 8.23 4.38 0.00 2.92 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 0.00 122 E 8.30 3.98 0.00 2.42 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 0.00 2.28 2.27 0.00 123 F 8.39 4.03 0.00 3.32 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 0.00 124 K 7.92 4.11 0.00 1.90 1.90 0.00 1.91 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.68 7.81 125 K 8.12 4.06 0.00 1.97 1.91 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.67 7.81 126 Q 8.67 4.17 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 127 Y 9.11 4.86 0.00 3.04 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 0.00 0.00 0.00 0.00 128 N 8.38 5.01 0.00 2.58 1.83 0.00 0.00 6.49 8.49 0.00 0.00 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 D 8.92 4.26 0.00 2.64 2.68 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 0.00 0.00 0.00 0.00 130 D 8.60 4.56 0.00 2.53 2.55 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 0.00 131 K 7.90 4.32 0.00 0.96 1.52 0.00 1.77 0.00 0.00 1.51 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.87 0.63 7.81 132 I 7.57 4.75 1.85 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.76 0.00 0.00 133 K 8.74 4.86 0.00 1.60 1.62 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.29 1.45 7.81 134 I 7.61 5.35 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.87 0.97 0.00 0.00 135 G 8.48 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 0.00 0.00 0.00 136 K 8.25 4.33 0.00 1.83 1.75 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 137 F 8.89 3.72 0.00 2.99 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 0.00 138 G 7.90 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 0.00 139 N 7.70 4.79 0.00 2.95 2.81 0.00 0.00 6.88 7.57 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 0.00 140 Y 8.49 4.20 0.00 3.16 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 0.00 141 M 7.92 5.04 0.00 1.78 1.77 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 142 N 8.92 4.71 0.00 2.86 2.65 0.00 0.00 7.43 7.50 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 0.00 143 I 8.41 4.84 1.92 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 1.31 0.74 0.89 0.00 0.00 144 D 8.70 4.71 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.23 4.63 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 0.83 0.00 0.00 0.99 0.00 0.00 146 T 8.65 4.49 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 0.00 147 N 8.62 4.79 0.00 2.62 2.78 0.00 0.00 6.97 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 0.00 148 D 10.12 4.27 0.00 2.65 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 0.00 149 G 8.25 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 0.00 150 P 0.00 4.43 0.00 2.07 2.02 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 151 V 8.09 4.43 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 1.20 0.00 0.00 0.92 0.00 0.00 152 T 8.69 5.17 4.26 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 1.25 0.00 0.00 153 I 8.92 4.62 1.88 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 1.11 1.06 0.90 0.00 0.00 154 Y 8.72 5.29 0.00 2.89 2.82 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 0.00 155 I 7.87 4.43 1.76 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 1.09 0.50 0.97 0.00 0.00 156 D 8.32 5.04 0.00 2.57 2.68 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 0.00 0.00 0.00 0.00 157 T 8.83 4.15 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 158 H 8.08 4.96 0.00 3.34 3.32 0.00 5.59 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.58 4.52 0.00 2.65 2.50 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 * Residues marked with a * may have inaccurate shift predictions.