NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2355 8.3149 119.9962 56.3048 34.1178 175.5840 3 K 3.9969 7.9869 119.3293 56.1883 32.7557 170.7721 4 V 4.0659 8.6503 120.7285 62.3765 34.2801 173.5208 5 V 4.4435 7.7303 113.1708 61.0486 33.9625 175.1243 6 A 4.4859 7.9453 118.8471 51.6053 22.1552 176.3881 7 V 4.5763 8.2254 121.1510 59.5110 31.1046 174.2292 8 V 3.6726 8.6564 128.1430 62.9631 32.7590 176.0586 9 K 4.9724 7.9602 127.2007 55.4346 30.7008 175.6133 10 L 4.1243 7.1749 120.3950 55.8595 43.1461 179.1162 11 Q 4.6922 8.1129 112.6196 56.3103 30.3275 172.9540 12 L 4.7286 7.5782 122.2271 52.3712 44.3594 176.4411 13 P 4.5391 0.0000 0.0000 62.2346 32.4080 174.9536 14 A 4.9115 8.2878 123.6289 55.0175 19.1987 176.0705 15 G 4.7951 9.5440 114.9514 46.9956 0.0000 174.6163 16 K 4.1360 7.8337 124.2819 55.8283 29.9476 174.7354 17 A 4.7239 8.0731 126.3605 49.2772 19.3179 174.3716 18 T 4.6349 7.7786 110.5981 58.7353 71.1922 174.4370 19 P 4.2255 0.0000 0.0000 64.1821 31.0873 176.3044 20 A 4.0568 8.0008 123.9439 51.3314 18.8223 175.3472 21 P 4.3594 0.0000 0.0000 61.9961 32.0765 174.4190 22 P 4.5022 0.0000 0.0000 63.6156 30.8390 177.2800 23 V 4.0353 7.3507 116.0772 63.2592 31.1264 175.7008 24 G 3.9566 7.7525 105.8483 46.6599 0.0000 174.2891 25 P 4.2320 0.0000 0.0000 64.5443 31.6257 177.1827 26 A 4.2777 7.3079 117.7010 53.1236 19.1310 177.6853 27 L 4.5834 7.8095 114.3539 54.6639 42.0694 177.3196 28 G 3.9685 7.9393 106.9963 45.2021 0.0000 175.0799 29 Q 4.6571 7.9553 117.7137 55.9559 28.6651 175.6301 30 H 4.5019 8.1479 117.2022 55.7670 30.9629 175.8844 31 G 3.6017 8.2758 104.4010 45.8139 0.0000 173.0930 32 A 2.8665 6.9709 119.4910 51.5416 18.7810 179.6004 33 N 4.3986 6.3073 122.0384 52.6522 36.6951 175.2885 34 I 3.8555 7.6752 112.1538 62.0463 37.7602 177.1040 35 M 4.7466 7.4111 116.4198 55.2792 33.3297 175.1517 36 E 4.7000 8.4967 119.4619 56.0633 30.2512 175.7647 37 F 5.0270 8.1957 119.6932 59.4590 41.1901 177.0144 38 V 3.7523 8.1620 117.8716 64.4933 30.0922 176.1373 39 K 4.4373 7.9856 118.6118 56.7351 33.5604 183.1026 40 A 4.3664 8.0749 122.4169 54.4730 18.3834 178.3431 41 F 4.3220 8.2053 119.3279 60.5255 40.0802 176.6321 42 N 4.3082 8.3099 113.0491 53.9034 38.7177 176.4553 43 A 4.1212 7.1923 121.8606 53.8881 19.8598 179.0075 44 A 4.1289 7.1793 114.5979 54.2666 18.9535 178.2143 45 T 4.1878 7.8430 105.0506 61.4430 68.7625 176.1972 46 A 4.1693 7.5853 124.7978 54.1162 19.0299 179.2034 47 N 4.3868 7.8401 114.1672 56.5251 38.9808 175.8178 48 M 3.9082 7.3716 116.9372 54.6017 32.4451 175.9820 49 G 3.8064 6.4948 113.7112 45.9378 0.0000 173.4819 50 D 4.7901 7.5388 122.6331 51.4020 41.6082 173.5638 51 A 3.2452 8.5771 134.1387 52.4856 18.0242 177.1480 52 I 3.9248 7.9700 122.6224 61.7431 38.8113 175.7856 53 V 4.3086 8.1102 123.7144 60.4624 33.4207 173.4001 54 P 4.9116 0.0000 0.0000 62.6618 32.3350 175.7072 55 V 4.7911 8.0003 118.6658 60.8188 34.8971 172.2876 56 E 5.3796 8.9847 123.9760 53.9439 31.9779 174.6302 57 I 5.3580 8.1045 128.8489 60.0494 38.6931 174.8879 58 T 4.9084 8.3169 124.3947 61.8282 70.6060 174.2416 59 I 3.9769 7.4092 126.5082 59.3270 39.7616 174.8933 60 Y 4.8557 7.8976 123.5007 58.0132 38.8447 176.5494 61 A 4.4060 8.8298 125.3189 55.4744 19.8486 178.8492 62 D 4.4956 8.0190 110.7984 54.3753 39.2481 176.1880 63 R 3.8758 8.2553 117.5935 58.0135 27.6147 175.8982 64 S 5.1313 8.0324 110.6690 56.6152 66.7237 172.7561 65 F 5.4925 8.9022 115.3592 55.9298 41.0393 173.3510 66 T 4.3810 7.8674 111.4330 61.5521 71.1943 172.2504 67 F 5.5953 7.8344 115.8848 57.0459 40.3822 173.1459 68 V 4.4189 8.3511 123.6569 61.0435 34.0897 174.0525 69 T 5.3668 8.3534 116.7735 59.6149 71.1217 174.7180 70 K 4.6550 8.3408 122.9851 55.8211 34.8758 176.2462 71 T 4.4512 8.3794 110.8213 60.4229 70.3209 172.5351 72 P 4.5955 0.0000 0.0000 61.3480 32.4297 174.0500 73 P 4.0290 0.0000 0.0000 61.8453 31.7887 176.9521 74 A 4.2580 8.6730 125.3842 54.3061 18.3898 177.8992 75 S 4.4442 7.8954 108.7361 58.7553 62.6766 174.1832 76 Y 4.4344 8.1594 122.3097 60.4087 39.0797 176.9595 77 L 3.3552 7.9158 120.7061 58.7439 40.0449 178.6426 78 I 3.8541 7.5407 117.2379 62.8260 38.3436 177.0636 79 R 4.1538 8.4606 119.8115 58.6300 29.8343 178.5866 80 K 4.0094 7.6814 117.9779 58.8282 33.2103 177.0563 81 A 4.1729 7.4441 122.7595 51.6440 18.3426 176.7282 82 A 4.4225 8.1004 123.2522 52.3372 21.4991 177.3643 83 G 3.8545 8.0162 104.2277 46.7940 0.0000 174.2321 84 L 4.6497 7.9842 119.4397 53.1615 43.7425 175.8265 85 E 4.4921 8.5797 116.5548 57.5227 31.9659 176.4821 86 K 4.6856 7.7573 115.1709 54.3422 36.6039 178.1247 87 G 3.7919 9.0810 109.6968 46.6942 0.0000 174.9908 88 A 4.3082 9.3983 117.1707 52.9787 21.5872 177.7243 89 H 4.4049 8.7372 119.8949 57.6949 26.8071 176.2428 90 K 4.4757 7.3337 122.8544 53.0160 32.4059 173.8125 91 P 4.4155 0.0000 0.0000 63.7058 31.3750 175.0662 92 G 4.1679 8.1441 115.1594 45.8130 0.0000 174.8067 93 R 3.8920 7.7145 122.5642 57.1004 30.9004 176.3828 94 E 4.5031 7.5546 119.0645 54.1123 30.4867 174.8161 95 K 4.7097 8.4477 125.6208 54.5081 33.3684 176.8253 96 V 4.2210 8.0121 121.2445 61.8646 32.5939 174.3517 97 G 4.1347 7.4706 104.0743 47.6368 0.0000 172.1139 98 R 4.8672 8.1687 114.2105 55.6445 31.9578 174.2358 99 I 4.9759 8.0340 120.5052 59.5803 40.7928 176.1407 100 T 5.0887 8.7544 116.2984 60.3981 68.7404 175.2965 101 W 4.3875 8.9098 120.5627 58.8253 28.7945 177.8649 102 E 4.4757 8.1254 117.0633 58.3774 29.7451 177.9545 103 Q 4.8955 8.4642 119.9503 57.4715 28.7994 178.5787 104 V 3.6396 7.4791 119.2983 63.6407 31.8984 177.3294 105 L 4.2738 7.1812 115.5801 55.9101 41.9703 177.4117 106 E 4.3282 8.0911 117.0466 59.3171 30.2748 178.4207 107 I 3.7702 7.3509 120.2219 63.8832 37.0670 177.8711 108 A 4.1126 7.7147 119.6330 54.1513 17.9189 179.1044 109 K 4.1449 7.6065 116.9418 58.9527 32.2686 178.9967 110 Q 4.1284 8.1045 118.8726 58.0471 28.8067 176.8379 111 K 4.9346 7.8568 116.6708 54.9793 33.3535 177.6655 112 M 4.2315 7.7368 118.6912 57.2089 31.1675 174.6509 113 P 4.8126 0.0000 0.0000 63.1916 32.2074 175.9422 114 D 4.7471 7.8722 116.1537 56.9086 45.0981 177.7742 115 L 3.8996 8.1688 109.7281 57.2624 40.6884 176.2301 116 N 4.7196 9.1400 123.0588 55.3758 45.7800 173.9392 117 T 4.1669 7.9090 106.7663 61.9595 69.4232 173.4520 118 T 4.7412 8.1682 110.8610 61.6823 69.8624 173.4516 119 D 4.8853 7.7714 124.2661 54.8195 43.0546 175.8724 120 L 4.6945 8.2068 115.4006 55.4752 47.1583 177.5788 121 E 3.9178 8.2856 116.9092 58.0521 29.5915 177.9704 122 A 4.3679 7.7175 119.8193 53.9712 20.0019 178.5318 123 A 3.8696 7.9086 118.4415 55.5985 18.3976 179.4519 124 A 3.9116 8.1157 119.1641 55.5503 18.2300 180.0909 125 R 3.6661 7.7272 116.1201 59.5150 29.8478 179.0577 126 M 4.0604 7.9444 117.7452 57.6997 31.9938 178.4015 127 I 3.9947 7.4582 119.5504 63.9264 37.5936 177.8640 128 A 4.1445 8.4095 120.5258 54.4824 18.2440 179.5675 129 G 3.7047 8.3168 105.1473 47.7683 0.0000 175.7135 130 S 4.9521 7.7439 115.0567 58.6604 62.8587 176.0232 131 A 4.1624 7.6339 125.3332 55.2626 18.1941 179.5897 132 R 4.2017 7.6652 112.2330 57.2411 30.5872 178.2425 133 S 4.5236 7.8374 116.6282 59.9463 62.8845 174.9739 134 M 4.5272 7.3590 116.0117 53.9401 32.0436 175.3509 135 G 3.9196 8.2241 106.0545 47.5462 0.0000 175.1127 136 V 4.6294 7.9855 117.6018 58.3288 31.6713 176.3076 137 E 4.0669 8.5037 127.2387 57.6814 30.9957 176.3759 138 V 4.5204 8.1453 120.6218 61.2591 32.9653 175.6302 139 V 3.7207 9.2513 130.0096 63.6269 32.3366 175.1924 140 G 3.9914 8.3852 113.3086 44.4010 0.0000 172.1507 *141 A 4.2237 8.4261 121.2042 52.3429 18.9454 176.6093 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 K 8.31 4.24 0.00 1.88 1.97 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 3 K 7.99 4.00 0.00 1.84 1.81 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.48 7.81 4 V 8.65 4.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 5 V 7.73 4.44 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 6 A 7.95 4.49 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 7 V 8.23 4.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.99 0.00 0.00 8 V 8.66 3.67 2.15 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 0.86 0.00 0.00 0.90 0.00 0.00 9 K 7.96 4.97 0.00 1.63 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.59 7.81 10 L 7.17 4.12 0.00 1.57 1.56 0.71 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.11 4.69 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 12 L 7.58 4.73 0.00 1.57 1.53 0.58 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.54 0.00 2.04 2.04 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 14 A 8.29 4.91 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 15 G 9.54 4.80 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 16 K 7.83 4.14 0.00 1.74 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.44 7.81 17 A 8.07 4.72 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 18 T 7.78 4.63 4.23 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 1.21 0.00 0.00 19 P 0.00 4.23 0.00 2.16 2.19 0.00 3.76 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 1.97 1.96 0.00 20 A 8.00 4.06 1.27 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 21 P 0.00 4.36 0.00 2.02 2.01 0.00 3.65 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 2.01 2.08 0.00 22 P 0.00 4.50 0.00 2.16 2.21 0.00 3.63 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 2.00 1.90 0.00 23 V 7.35 4.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.84 0.00 0.00 24 G 7.75 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 0.00 0.00 0.00 0.00 25 P 0.00 4.23 0.00 2.16 2.17 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 26 A 7.31 4.28 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 27 L 7.81 4.58 0.00 1.57 1.53 0.74 0.66 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 28 G 7.94 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 29 Q 7.96 4.66 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 30 H 8.15 4.50 0.00 3.13 3.31 0.00 5.89 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 31 G 8.28 3.60 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 32 A 6.97 2.87 1.02 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 33 N 6.31 4.40 0.00 2.40 2.74 0.00 0.00 6.96 7.74 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 34 I 7.68 3.86 1.81 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 1.45 0.65 0.83 0.00 0.00 35 M 7.41 4.75 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 36 E 8.50 4.70 0.00 2.23 2.23 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 2.49 2.51 0.00 37 F 8.20 5.03 0.00 2.86 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 38 V 8.16 3.75 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 0.85 0.00 0.00 1.04 0.00 0.00 39 K 7.99 4.44 0.00 1.67 1.72 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 0.96 7.81 40 A 8.07 4.37 1.61 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 0.00 0.00 41 F 8.21 4.32 0.00 2.27 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 42 N 8.31 4.31 0.00 2.93 2.77 0.00 0.00 7.43 7.98 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 43 A 7.19 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.18 4.13 1.19 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 0.00 0.00 45 T 7.84 4.19 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 0.36 0.00 0.00 46 A 7.59 4.17 1.25 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 0.00 0.00 47 N 7.84 4.39 0.00 2.65 2.90 0.00 0.00 7.03 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 48 M 7.37 3.91 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 49 G 6.49 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 50 D 7.54 4.79 0.00 2.62 2.40 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 51 A 8.58 3.25 0.19 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 0.00 0.00 52 I 7.97 3.92 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 1.23 1.09 0.94 0.00 0.00 53 V 8.11 4.31 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 1.06 0.00 0.00 1.26 0.00 0.00 54 P 0.00 4.91 0.00 2.14 2.14 0.00 4.01 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 55 V 8.00 4.79 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 0.49 0.00 0.00 1.09 0.00 0.00 56 E 8.98 5.38 0.00 2.05 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 2.19 2.25 0.00 57 I 8.10 5.36 1.73 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.63 1.05 0.00 0.00 58 T 8.32 4.91 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 59 I 7.41 3.98 0.88 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 1.08 0.84 0.81 0.00 0.00 60 Y 7.90 4.86 0.00 3.03 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 61 A 8.83 4.41 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 62 D 8.02 4.50 0.00 2.84 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 63 R 8.26 3.88 0.00 2.01 2.14 0.00 3.11 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 64 S 8.03 5.13 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.90 5.49 0.00 3.06 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 66 T 7.87 4.38 4.33 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 1.28 0.00 0.00 67 F 7.83 5.60 0.00 2.92 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 68 V 8.35 4.42 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 1.00 0.00 0.00 0.86 0.00 0.00 69 T 8.35 5.37 4.51 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 1.52 0.00 0.00 70 K 8.34 4.66 0.00 1.67 1.86 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.51 7.81 71 T 8.38 4.45 4.29 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 1.27 0.00 0.00 72 P 0.00 4.60 0.00 2.17 2.04 0.00 3.47 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 73 P 0.00 4.03 0.00 2.28 2.06 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 74 A 8.67 4.26 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 75 S 7.90 4.44 0.00 3.88 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 76 Y 8.16 4.43 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 77 L 7.92 3.36 0.00 1.85 1.88 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.54 3.85 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 1.62 0.81 1.01 0.00 0.00 79 R 8.46 4.15 0.00 1.90 1.94 0.00 3.41 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.02 0.00 80 K 7.68 4.01 0.00 1.86 1.84 0.00 1.24 0.00 0.00 1.67 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.36 7.81 81 A 7.44 4.17 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 82 A 8.10 4.42 1.25 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 0.00 0.00 83 G 8.02 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.98 4.65 0.00 1.80 1.61 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.58 4.49 0.00 1.91 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 2.21 2.27 0.00 86 K 7.76 4.69 0.00 1.90 1.84 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.40 7.81 87 G 9.08 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 88 A 9.40 4.31 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 89 H 8.74 4.40 0.00 3.30 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.33 4.48 0.00 1.78 1.72 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 P 0.00 4.42 0.00 2.04 2.21 0.00 3.67 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 2.05 2.12 0.00 92 G 8.14 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.71 3.89 0.00 1.79 1.98 0.00 3.36 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 94 E 7.55 4.50 0.00 2.11 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 2.20 2.23 0.00 95 K 8.45 4.71 0.00 1.76 1.72 0.00 1.69 0.00 0.00 2.29 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.69 1.44 7.81 96 V 8.01 4.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 97 G 7.47 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.17 4.87 0.00 1.87 1.91 0.00 3.00 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 99 I 8.03 4.98 1.89 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 1.27 0.95 0.00 0.00 100 T 8.75 5.09 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 1.28 0.00 0.00 101 W 8.91 4.39 0.00 3.31 3.31 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 0.00 102 E 8.13 4.48 0.00 2.23 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 2.35 2.42 0.00 103 Q 8.46 4.90 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.25 0.00 104 V 7.48 3.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.90 0.00 0.00 105 L 7.18 4.27 0.00 1.86 1.81 0.94 0.95 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 0.00 106 E 8.09 4.33 0.00 2.26 2.30 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 2.36 2.33 0.00 107 I 7.35 3.77 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.91 0.00 0.00 108 A 7.71 4.11 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 0.00 109 K 7.61 4.14 0.00 2.02 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.53 7.81 110 Q 8.10 4.13 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.19 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 111 K 7.86 4.93 0.00 1.82 1.74 0.00 2.05 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.37 7.81 112 M 7.74 4.23 0.00 2.36 2.20 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 2.60 2.70 0.00 113 P 0.00 4.81 0.00 2.20 2.17 0.00 3.57 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 114 D 7.87 4.75 0.00 2.84 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 0.00 115 L 8.17 3.90 0.00 1.63 1.24 0.92 0.93 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 0.00 116 N 9.14 4.72 0.00 2.62 2.74 0.00 0.00 6.89 7.70 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 0.00 117 T 7.91 4.17 4.23 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 1.20 0.00 0.00 118 T 8.17 4.74 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 0.00 119 D 7.77 4.89 0.00 2.65 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 0.00 120 L 8.21 4.69 0.00 1.63 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.29 3.92 0.00 1.88 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 2.29 2.39 0.00 122 A 7.72 4.37 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 0.00 123 A 7.91 3.87 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 0.00 124 A 8.12 3.91 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 0.00 125 R 7.73 3.67 0.00 1.98 1.94 0.00 3.05 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 126 M 7.94 4.06 0.00 1.98 2.32 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 2.62 2.57 0.00 127 I 7.46 3.99 2.02 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 1.75 1.38 0.90 0.00 0.00 128 A 8.41 4.14 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 0.00 129 G 8.32 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 0.00 0.00 0.00 130 S 7.74 4.95 0.00 3.94 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 0.00 131 A 7.63 4.16 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 0.00 132 R 7.67 4.20 0.00 1.80 1.98 0.00 3.21 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 133 S 7.84 4.52 0.00 4.04 3.91 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 0.00 0.00 0.00 134 M 7.36 4.53 0.00 2.08 2.09 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 2.45 2.75 0.00 135 G 8.22 3.92 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 0.00 0.00 0.00 136 V 7.99 4.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.96 0.00 0.00 137 E 8.50 4.07 0.00 2.09 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 0.00 2.39 2.37 0.00 138 V 8.15 4.52 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 0.94 0.00 0.00 139 V 9.25 3.72 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 140 G 8.39 3.99 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 0.00 0.00 0.00 *141 A 8.43 4.22 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 * Residues marked with a * may have inaccurate shift predictions.