NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4154 8.3344 115.4124 58.0129 64.3531 172.4820 3 E 4.4801 8.4294 124.4077 51.5215 31.8324 173.1612 4 P 4.2536 0.0000 0.0000 62.4249 33.1200 175.1408 5 V 4.0380 7.6842 119.0855 60.9319 33.8635 174.6685 6 F 4.8594 8.3770 125.8019 55.2355 39.8089 174.9091 7 P 4.5340 0.0000 0.0000 64.8784 31.8845 176.5386 8 T 4.2998 7.4805 108.6262 58.4865 73.0132 172.5825 9 P 3.5793 0.0000 0.0000 65.4260 31.0520 178.8594 10 E 3.6757 7.6239 116.7614 59.1526 29.2921 179.0755 11 A 3.9274 7.9971 120.6804 54.9370 18.3593 179.5346 12 A 3.0417 7.6324 119.3382 54.9781 18.4269 179.5253 13 E 3.9702 7.6317 119.2238 58.7300 29.6770 178.4002 14 D 4.3964 8.3215 118.2394 57.4393 41.2496 178.1622 15 A 3.9831 8.0724 121.4096 54.9349 18.3033 179.2628 16 F 3.8859 8.2570 119.3264 61.8896 39.4436 177.1396 17 Y 4.2196 8.1770 115.8402 60.6010 37.5787 178.2285 18 A 3.9831 8.1625 121.9175 55.1288 18.5370 179.4852 19 A 3.8536 8.1173 119.4622 55.0492 18.3349 179.5845 20 F 4.1547 8.0294 119.0987 61.6735 39.3019 177.0749 21 E 3.9500 8.3186 117.3476 59.0694 29.5613 178.0593 22 A 3.9227 7.9935 118.7871 51.9888 19.3276 177.0286 23 R 2.0000 6.7879 115.1242 56.4728 28.0014 177.4734 24 S 4.4841 7.3195 111.9267 56.2864 62.9189 173.1104 25 L 4.3965 8.7714 130.7138 58.4198 42.3031 177.9254 26 D 4.5782 8.2886 116.8605 57.6728 40.8279 177.7442 27 D 4.6309 7.7248 120.4553 54.3970 37.9336 176.5088 *30 A 4.2047 7.8029 123.5923 51.7284 20.8879 178.5806 31 V 3.9221 7.5641 115.5712 65.0429 31.9342 176.4283 32 W 4.3212 8.2969 118.5454 55.6817 29.6727 175.8514 33 A 4.2100 8.6851 124.8573 52.9506 18.8212 178.5861 34 R 4.4348 8.2982 121.2032 54.7839 28.5960 175.8918 35 D 4.7222 7.4647 117.8779 52.6181 44.9843 174.6697 36 D 4.7104 8.7098 123.9711 55.3402 41.2249 176.0429 37 H 4.8964 8.8329 113.5508 56.0427 29.6514 175.3665 38 V 4.3073 7.6279 111.8361 61.8163 32.9767 175.0117 39 A 5.1547 9.0303 122.8997 50.8535 23.1583 174.9704 40 C 5.2658 9.0921 120.8371 57.8809 35.3106 172.6727 41 I 4.5752 8.9316 127.7705 59.9430 39.0397 175.0959 42 H 4.9811 8.4586 124.2369 53.6534 30.9648 173.2986 43 P 4.3986 0.0000 0.0000 64.5828 31.3927 176.6559 44 L 3.6162 8.7627 120.6943 55.1713 39.0988 173.8695 45 A 4.5959 7.8395 121.2630 50.0973 21.1504 177.0471 46 A 4.3368 8.0573 122.3569 50.7355 19.5357 175.8866 47 P 4.5632 0.0000 0.0000 62.8537 32.6530 175.6759 48 L 4.4807 8.7360 122.5034 53.6070 43.2716 175.0971 49 N 5.1715 8.9271 121.6883 52.5617 40.7440 176.0610 50 G 4.5233 9.3918 108.5364 45.8415 0.0000 174.5750 51 R 3.7855 8.8157 118.1306 58.9693 29.8385 179.5397 52 A 3.9066 7.8858 119.8891 54.9526 18.4368 179.3934 53 A 3.7965 7.7744 118.7601 55.2144 18.6001 179.6551 54 V 3.1634 7.6091 116.5005 66.0792 31.3904 178.0062 55 A 3.9642 7.9737 120.1226 55.2168 18.1333 179.4792 56 A 3.9687 8.2947 119.6658 55.0695 18.1563 180.1765 57 G 3.2399 7.8187 103.5862 47.6955 0.0000 175.7759 58 W 3.7384 7.5323 120.4446 58.9378 29.1257 178.2812 59 R 4.1341 8.1048 118.9619 59.4402 29.5007 179.1193 60 S 4.2825 7.9768 109.3235 59.3151 61.5106 175.3837 *62 F 5.2349 8.0919 121.0478 57.2955 40.6428 177.6966 63 G 3.8635 8.7051 108.6032 47.7928 0.0000 174.1236 64 A 4.4921 7.7667 120.3534 52.6240 20.0654 178.0545 65 A 4.0988 7.7058 119.0806 53.0802 18.8004 179.0646 66 G 3.9478 8.1672 106.4892 45.4089 0.0000 173.0355 67 R 4.3267 8.3031 118.8842 56.6070 30.5700 171.6307 68 F 5.4013 7.9429 117.3887 55.2133 41.2897 173.3238 69 R 4.9803 9.2366 117.8794 54.3802 33.5381 174.9140 70 L 5.2500 9.6731 123.1304 53.5466 45.1387 175.6849 71 Q 4.7318 9.2413 124.2848 54.0687 32.5652 174.5120 72 V 4.8939 8.3349 121.8108 60.9122 34.8720 174.3954 73 K 4.7039 8.8272 127.1049 54.4183 35.1976 175.2143 74 A 4.4484 8.7965 129.0494 52.2761 18.7832 176.6219 75 V 4.2387 8.6864 120.4521 64.5607 33.7961 175.0765 76 H 4.8349 7.7733 116.9442 55.5306 33.1950 171.8584 77 E 5.0598 8.1523 121.6503 54.5586 33.1352 174.3607 78 I 4.3864 9.0263 126.6210 59.6501 39.9659 174.3276 79 R 4.8379 8.6219 128.0863 54.6917 31.4094 175.0687 80 Q 4.7473 8.6851 124.1961 53.5784 32.6947 175.5313 81 A 4.3006 8.7600 121.7501 55.0069 18.6782 178.4356 82 D 4.6094 8.1752 114.1883 54.5846 40.9123 175.7594 83 H 5.6503 8.1023 115.9232 54.0891 33.5725 172.5051 84 V 4.8681 9.3441 121.9175 61.2962 34.7251 173.9570 85 I 4.9190 8.9515 129.2712 59.7616 39.4195 174.7438 86 R 5.0347 9.1476 126.3490 54.4564 33.2532 174.6124 87 I 4.9214 8.8475 125.5358 59.8777 39.2618 175.3543 88 V 4.9240 8.8686 119.4635 59.7563 36.6530 174.0085 89 D 4.9744 9.0946 123.2919 53.1753 42.8088 175.2867 90 E 4.6906 9.2163 124.0473 54.6214 31.9210 174.9213 91 F 4.9917 9.2802 124.4057 55.8682 41.3714 174.4094 92 L 5.1129 8.4911 124.2759 53.4030 44.1158 175.6754 93 T 4.8789 8.8932 120.5599 62.0158 70.8763 173.3647 94 I 4.4713 8.5755 127.5088 59.8157 39.5899 175.9395 95 G 3.8199 8.5551 115.2196 47.3852 0.0000 173.4150 96 D 4.7797 8.9251 121.7951 54.0272 40.5608 175.7954 97 E 4.5158 7.9128 119.3273 55.9236 30.5706 176.3230 98 T 4.5955 8.3886 108.2814 60.9688 69.7049 173.3858 99 A 4.7406 7.7343 123.7722 49.7579 21.9178 174.5962 100 P 4.8481 0.0000 0.0000 61.8817 32.5707 176.2280 101 R 4.3254 8.7921 121.2084 55.2886 31.1098 174.7074 102 P 4.5254 0.0000 0.0000 62.4259 31.8376 176.6983 103 A 3.8453 8.6612 124.8503 52.7421 19.0687 176.6856 104 I 4.4292 8.1145 120.7505 59.3271 40.2843 174.8187 105 L 4.8904 8.7917 128.7726 54.3709 43.8511 175.2008 106 A 5.1962 8.9947 126.0742 50.7522 23.0812 174.9034 107 T 4.7736 9.1019 119.5455 62.1735 70.5628 173.4977 108 N 5.0858 9.1286 124.6846 51.1948 41.4790 173.6931 109 V 4.5627 8.0838 123.8372 61.1929 34.0424 173.6851 110 Y 5.0182 8.9746 125.8394 56.1976 40.9119 174.5922 111 R 4.6700 9.0818 123.9837 54.3535 32.9768 174.8560 112 R 3.0154 7.9044 126.6039 55.6154 30.6657 175.0213 113 E 4.5871 8.6318 123.3376 53.8392 33.5027 176.6928 114 A 4.0225 8.5885 122.3649 54.6631 18.2832 178.0418 115 D 4.8757 8.0470 111.6897 52.2761 41.0551 176.5123 116 G 4.0929 6.3873 105.4116 46.1455 0.0000 171.6781 117 W 5.4214 8.9747 119.5695 55.2692 33.4956 174.9612 118 R 5.0381 8.1701 121.8625 55.0001 30.8125 179.3661 *120 V 4.2447 8.4482 119.7195 62.0624 34.1694 173.8667 121 L 5.7848 7.1383 119.8523 54.3234 46.1544 173.7991 122 H 5.0962 9.1156 124.2729 54.7347 33.4131 171.1842 123 H 5.1067 9.4383 125.7640 54.5254 32.1087 171.6851 124 A 5.4052 8.6640 128.1508 50.6386 20.9553 176.0325 125 S 4.7883 9.0603 114.8115 56.2923 66.7618 172.2076 126 P 4.8545 0.0000 0.0000 62.6293 32.6123 175.1745 127 L 4.6485 8.0965 119.9451 52.5050 43.8310 176.6805 128 Q 4.1306 8.8768 123.3919 56.6373 28.8381 176.0890 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 2 S 8.33 4.42 0.00 3.98 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 3 E 8.43 4.48 0.00 1.99 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 2.18 2.38 0.00 4 P 0.00 4.25 0.00 1.44 1.85 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 5 V 7.68 4.04 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 0.85 0.00 0.00 0.86 0.00 0.00 6 F 8.38 4.86 0.00 3.43 2.97 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 7 P 0.00 4.53 0.00 2.24 2.24 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 8 T 7.48 4.30 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 1.16 0.00 0.00 9 P 0.00 3.58 0.00 1.50 1.47 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.54 0.00 10 E 7.62 3.68 0.00 1.88 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 2.28 2.27 0.00 11 A 8.00 3.93 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 12 A 7.63 3.04 1.04 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 13 E 7.63 3.97 0.00 1.72 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 2.61 2.44 0.00 14 D 8.32 4.40 0.00 2.81 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 15 A 8.07 3.98 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 16 F 8.26 3.89 0.00 2.92 2.97 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 17 Y 8.18 4.22 0.00 3.19 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 18 A 8.16 3.98 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 19 A 8.12 3.85 1.35 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 20 F 8.03 4.15 0.00 2.83 3.02 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 21 E 8.32 3.95 0.00 2.04 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 2.17 2.24 0.00 22 A 7.99 3.92 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 23 R 6.79 2.00 0.00 1.59 1.51 0.00 3.46 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 24 S 7.32 4.48 0.00 3.73 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 25 L 8.77 4.40 0.00 1.87 1.80 1.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.29 4.58 0.00 2.75 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 27 D 7.72 4.63 0.00 2.80 2.67 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 *30 A 7.80 4.20 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.56 3.92 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 0.73 0.00 0.00 0.88 0.00 0.00 32 W 8.30 4.32 0.00 3.37 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 33 A 8.69 4.21 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 34 R 8.30 4.43 0.00 1.84 1.95 0.00 3.45 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 35 D 7.46 4.72 0.00 2.65 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 36 D 8.71 4.71 0.00 2.74 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 37 H 8.83 4.90 0.00 3.17 3.30 0.00 5.73 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.63 4.31 2.52 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 0.99 0.00 0.00 0.94 0.00 0.00 39 A 9.03 5.15 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 40 C 9.09 5.27 0.00 2.78 2.46 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 41 I 8.93 4.58 1.70 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.64 0.81 0.00 0.00 42 H 8.46 4.98 0.00 2.95 3.06 0.00 5.64 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 43 P 0.00 4.40 0.00 2.05 2.05 0.00 3.83 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 2.20 0.00 44 L 8.76 3.62 0.00 1.80 1.79 0.92 0.80 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 45 A 7.84 4.60 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.06 4.34 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 47 P 0.00 4.56 0.00 2.23 2.00 0.00 3.71 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 1.94 1.96 0.00 48 L 8.74 4.48 0.00 1.49 1.46 0.68 0.40 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 49 N 8.93 5.17 0.00 2.55 2.71 0.00 0.00 7.35 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.39 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 51 R 8.82 3.79 0.00 1.82 1.96 0.00 3.33 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 52 A 7.89 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 3.80 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 54 V 7.61 3.16 1.62 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 -0.05 0.00 0.00 0.55 0.00 0.00 55 A 7.97 3.96 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 56 A 8.29 3.97 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 57 G 7.82 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 0.00 0.00 0.00 58 W 7.53 3.74 0.00 2.93 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.10 4.13 0.00 1.98 2.06 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 60 S 7.98 4.28 0.00 3.89 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 *62 F 8.09 5.23 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.71 3.86 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 0.00 0.00 0.00 64 A 7.77 4.49 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 A 7.71 4.10 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 66 G 8.17 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.30 4.33 0.00 1.52 1.82 0.00 3.25 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 68 F 7.94 5.40 0.00 3.12 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 69 R 9.24 4.98 0.00 1.78 1.87 0.00 3.18 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 70 L 9.67 5.25 0.00 1.66 1.51 0.73 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.24 4.73 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 72 V 8.33 4.89 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 0.50 0.00 0.00 -0.00 0.00 0.00 73 K 8.83 4.70 0.00 1.99 1.77 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 74 A 8.80 4.45 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.69 4.24 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 0.97 0.00 0.00 76 H 7.77 4.83 0.00 3.24 3.09 0.00 5.88 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.15 5.06 0.00 1.90 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 78 I 9.03 4.39 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 1.13 0.59 0.93 0.00 0.00 79 R 8.62 4.84 0.00 1.76 1.80 0.00 3.14 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 80 Q 8.69 4.75 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 81 A 8.76 4.30 1.35 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 82 D 8.18 4.61 0.00 2.82 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 83 H 8.10 5.65 0.00 3.16 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 9.34 4.87 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 1.01 0.00 0.00 0.85 0.00 0.00 85 I 8.95 4.92 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 1.23 0.49 nan 0.00 0.00 86 R 9.15 5.03 0.00 2.02 1.94 0.00 2.95 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 87 I 8.85 4.92 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.97 0.00 0.00 88 V 8.87 4.92 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 0.85 0.00 0.00 1.08 0.00 0.00 89 D 9.09 4.97 0.00 2.54 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 0.00 0.00 0.00 90 E 9.22 4.69 0.00 1.82 1.79 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 2.24 2.32 0.00 91 F 9.28 4.99 0.00 2.98 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 92 L 8.49 5.11 0.00 1.60 1.53 0.83 0.25 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 93 T 8.89 4.88 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 1.33 0.00 0.00 94 I 8.58 4.47 1.92 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 1.31 0.54 0.99 0.00 0.00 95 G 8.56 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 96 D 8.93 4.78 0.00 2.68 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 97 E 7.91 4.52 0.00 2.08 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 2.33 2.36 0.00 98 T 8.39 4.60 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 99 A 7.73 4.74 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 0.00 100 P 0.00 4.85 0.00 2.27 2.15 0.00 3.36 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.76 0.00 101 R 8.79 4.33 0.00 1.79 1.95 0.00 3.36 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 102 P 0.00 4.53 0.00 1.94 2.00 0.00 3.72 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 2.04 2.12 0.00 103 A 8.66 3.85 0.73 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 0.00 0.00 104 I 8.11 4.43 1.86 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 1.08 1.30 1.04 0.00 0.00 105 L 8.79 4.89 0.00 1.73 1.59 0.94 1.30 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 0.00 106 A 8.99 5.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.10 4.77 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 0.00 108 N 9.13 5.09 0.00 2.63 2.04 0.00 0.00 6.01 7.90 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 0.00 109 V 8.08 4.56 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 1.01 0.00 0.00 0.87 0.00 0.00 110 Y 8.97 5.02 0.00 3.03 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 0.00 111 R 9.08 4.67 0.00 1.77 1.71 0.00 3.05 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 0.00 112 R 7.90 3.02 0.00 0.67 1.15 0.00 3.08 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.53 0.00 113 E 8.63 4.59 0.00 1.86 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 2.11 2.09 0.00 114 A 8.59 4.02 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.05 4.88 0.00 2.72 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 0.00 116 G 6.39 4.09 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 0.00 0.00 0.00 117 W 8.97 5.42 0.00 3.23 3.23 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 0.00 118 R 8.17 5.04 0.00 1.89 1.44 0.00 3.61 0.00 0.00 3.62 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 *120 V 8.45 4.24 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 0.87 0.00 0.00 0.98 0.00 0.00 121 L 7.14 5.78 0.00 1.80 1.38 0.97 0.89 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 0.00 122 H 9.12 5.10 0.00 3.19 3.55 0.00 5.86 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 9.44 5.11 0.00 3.17 3.06 0.00 5.63 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 0.00 124 A 8.66 5.41 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 0.00 125 S 9.06 4.79 0.00 3.83 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 0.00 126 P 0.00 4.85 0.00 2.07 2.09 0.00 3.45 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 127 L 8.10 4.65 0.00 1.59 1.59 0.90 0.86 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 0.00 128 Q 8.88 4.13 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.65 0.00 0.00 0.00 0.00 0.00 2.35 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.