NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5649 8.3601 120.5308 54.3982 41.5063 173.6130 3 A 4.6177 7.8608 129.0486 47.8501 21.7035 171.3145 4 P 3.9848 0.0000 0.0000 63.5958 31.3018 174.7737 5 R 3.7826 7.5396 123.0389 55.8819 26.3939 177.1558 6 L 4.2959 8.6203 121.5557 55.8359 41.9936 178.6382 7 T 4.2418 7.8679 108.7609 62.9384 69.6144 175.8341 8 G 3.7112 7.8490 107.8366 43.5218 0.0000 170.3467 9 A 3.5019 8.6289 126.6314 51.5499 17.5172 176.5556 10 D 4.1986 9.1853 123.5083 56.9711 42.1343 179.3817 11 R 3.5168 8.5616 121.1412 58.4440 25.7178 172.5093 12 P 3.8891 0.0000 0.0000 61.5931 33.4199 177.5674 13 M 3.2221 8.8001 119.1553 55.8345 30.1051 177.5429 14 S 4.0643 7.7896 113.9278 62.1865 62.5136 171.9445 15 E 4.4763 7.3181 117.7259 54.6384 30.7459 175.6458 16 V 4.4056 7.8996 126.5631 60.7675 34.5613 174.3340 17 A 4.2871 8.4729 128.3246 51.1342 19.6521 176.6769 18 A 4.4819 8.3221 125.6071 49.7854 19.6679 175.4877 19 P 4.4088 0.0000 0.0000 62.2619 32.0770 174.5873 20 P 4.4833 0.0000 0.0000 61.8950 32.1540 176.1224 21 L 3.8380 8.4365 119.2862 55.1487 42.0135 175.7104 22 P 4.5839 0.0000 0.0000 61.9701 32.7221 175.0902 23 E 4.6231 8.3102 118.6220 55.0150 31.6269 175.7034 24 T 4.2929 8.5421 119.3341 64.1848 69.5935 173.9035 25 I 4.2340 8.7069 126.0919 60.7796 37.1933 176.0512 26 T 4.2063 8.5356 123.9214 63.5385 69.3187 174.8066 27 D 4.4188 7.8837 121.7607 53.4690 38.9677 178.3231 28 D 4.8401 8.5830 128.3590 53.7489 40.0071 176.9154 29 R 4.4095 8.7023 120.2575 54.5018 30.8384 177.3129 30 R 4.0380 8.4772 122.3471 56.6542 30.8269 176.6918 31 V 3.8143 8.3085 119.9505 63.8302 32.4166 177.1632 32 G 3.8506 8.3497 107.0577 46.2696 0.0000 172.8413 33 R 4.5499 8.1571 123.3148 54.7252 32.8238 175.1837 34 N 4.9061 8.3624 114.3598 54.0830 40.2284 174.9447 35 Y 4.9618 6.9436 113.5088 54.0964 41.3963 173.4427 36 P 4.3832 0.0000 0.0000 63.7625 31.8119 175.9649 37 E 3.9052 8.7571 115.6707 57.5657 27.3175 174.5860 38 Q 4.1399 7.8006 120.4141 53.4428 28.7719 173.5474 39 P 4.2366 0.0000 0.0000 62.5657 31.2815 174.5131 40 P 4.2661 0.0000 0.0000 62.6993 31.8913 175.9733 41 V 4.1257 7.8827 120.0112 61.7012 32.5936 175.7314 42 I 3.9333 8.4814 127.1517 60.1689 36.8817 175.0699 43 P 4.5617 0.0000 0.0000 63.5139 31.7946 174.8583 44 H 5.0494 7.3254 113.9924 53.7743 31.4087 172.6794 45 S 4.4515 8.4345 113.0220 58.2438 63.4477 173.3249 46 I 3.8791 7.8247 122.7366 63.8411 40.0163 181.0738 47 E 3.1332 8.2590 113.6594 56.9577 29.9351 176.7816 48 G 3.7658 8.7837 120.7284 47.7138 0.0000 173.5929 49 Y 4.4853 8.2484 119.6034 58.3166 38.3865 175.2298 50 Q 4.6333 8.8373 125.5918 54.4981 31.6345 174.1564 51 L 5.0511 8.6012 125.3253 53.2728 43.3973 175.3397 52 S 4.8562 9.4712 119.5079 56.8526 66.1300 174.9454 53 V 3.9042 8.6530 118.6894 65.6222 31.2920 176.6188 54 N 4.7633 7.5605 115.3761 53.5599 39.7450 174.5320 55 A 4.6155 7.8311 119.4747 51.0333 22.3082 175.0707 56 N 4.8134 8.2327 117.9625 50.6260 40.1375 174.3338 57 R 3.8498 8.7791 126.5062 59.4047 29.9929 177.6602 58 C 3.9514 7.8880 115.7379 62.8806 28.0647 175.7459 59 L 4.2724 7.7824 117.1971 56.5595 41.1928 178.6450 60 E 4.1506 7.8594 118.8067 58.2135 29.5715 177.0224 61 C 4.6270 8.2025 114.8698 59.8801 30.5518 173.8185 62 H 4.8019 7.9523 116.9056 54.0076 27.6184 174.0069 63 R 4.8064 7.8869 118.9971 55.1077 33.5455 173.6834 64 R 4.6570 8.7921 119.6250 55.0900 32.8918 176.4086 65 Q 4.6297 8.3461 121.1151 53.8957 31.5307 171.2540 66 Y 4.5243 8.3113 116.6512 57.8226 38.0515 178.0897 67 S 3.7151 10.2228 119.1710 60.2395 62.2647 173.2232 68 G 4.0573 8.4603 114.0301 46.6612 0.0000 174.4254 69 L 4.3254 8.0248 118.9747 53.9115 42.6096 176.2199 70 V 4.2048 8.1324 119.2108 61.1069 33.2295 174.4973 71 A 4.6863 8.1332 128.1966 49.8009 22.4361 174.7085 72 A 4.1531 8.3051 122.7639 50.9951 19.0382 176.1505 73 P 4.3447 0.0000 0.0000 63.2029 31.8873 176.1744 74 M 4.6982 8.1998 119.4019 54.8833 33.3891 175.5721 75 I 4.6014 7.2408 111.1685 59.2008 40.7339 174.6281 76 S 4.3775 8.3736 116.9948 57.9476 63.9839 175.1828 77 I 3.1788 8.0749 122.8431 63.1202 36.5239 178.1310 78 T 4.0783 7.8089 110.8233 64.0110 68.7285 174.9217 79 H 4.7659 8.5421 118.6247 56.5738 29.0499 176.0717 80 F 4.7313 8.6663 120.5294 57.1551 39.5910 175.5747 81 Q 4.8556 7.3950 117.2254 55.4508 29.5481 175.3952 82 D 4.7913 8.7199 121.9323 51.2002 41.4376 175.6693 83 R 3.9791 8.2237 119.1481 58.6318 30.0878 176.1902 84 E 4.0232 8.8463 122.9208 55.2799 27.0563 176.1064 85 G 3.9705 8.5678 106.0854 45.6559 0.0000 174.2965 86 Q 4.1184 7.9004 119.5075 56.2980 30.1086 175.4247 87 M 4.6936 8.4699 122.8727 54.0450 32.9115 175.5995 88 L 4.3142 8.6790 126.7841 53.9934 43.5360 177.1349 89 A 4.4277 8.2364 120.6082 51.5046 18.5210 176.8278 90 D 3.3700 6.8464 119.5733 54.5922 44.8091 176.3914 91 V 3.5405 7.2952 121.6468 63.4915 31.6562 175.9588 92 S 4.5167 8.5245 121.6223 56.8419 64.2802 172.6145 93 P 4.3608 0.0000 0.0000 65.4049 31.3646 177.1664 94 R 4.4181 7.1518 114.6724 57.2912 29.9990 176.8309 95 R 4.2826 8.9326 119.3959 56.3603 28.2861 176.6950 96 Y 4.0484 7.7480 118.3674 60.5868 39.0134 177.0383 97 F 4.1297 8.2156 124.3852 56.7266 38.4259 176.1716 98 C 4.2122 8.6047 124.8147 62.9435 28.1664 176.5968 99 T 4.0628 8.1427 107.5081 63.9180 68.2363 174.4938 100 A 4.2305 7.5668 123.9351 54.2818 18.7362 177.9957 101 C 4.6711 8.4840 111.8811 60.1586 30.6892 173.9880 102 H 4.8608 8.0579 116.4952 54.2021 29.6804 174.1784 103 V 4.5804 8.1648 124.2054 60.4101 34.4559 173.4125 104 P 5.1181 0.0000 0.0000 61.6848 33.3433 174.5795 105 Q 4.7736 8.3869 116.8073 54.5230 33.4296 174.3714 106 T 4.8611 8.3215 110.5406 59.7848 72.3388 173.3995 107 N 4.7411 8.5203 120.2542 52.5660 38.3152 173.7255 108 A 4.6201 8.0879 127.2282 50.1677 22.2956 175.3686 109 Q 4.2781 8.7973 122.1637 54.1403 29.8472 174.3550 110 P 4.2895 0.0000 0.0000 62.9801 31.7691 177.3120 111 L 4.2446 8.4883 121.9969 56.5392 41.9490 177.2592 112 V 4.3694 6.9643 115.6915 61.6537 34.8111 173.0101 113 T 4.0549 8.4683 117.0493 61.5250 69.4422 173.0639 114 N 4.9104 8.5533 122.1850 52.2260 40.1957 174.0712 115 E 4.5080 8.6218 126.6788 56.7011 30.4609 176.3463 116 F 4.4719 8.1905 122.1504 58.5030 40.4984 174.1082 117 R 4.7817 7.7538 124.2323 54.1989 32.3124 175.5698 118 D 4.3231 8.2670 121.7905 54.3558 42.1197 177.1456 119 M 3.9917 8.8931 124.3137 58.2377 32.2238 176.9216 120 L 4.3832 7.6294 117.3504 54.6596 43.1524 176.4307 121 T 3.2745 8.4003 112.8261 61.7839 66.7375 171.9265 122 L 4.5711 7.6439 130.9588 54.9581 41.8369 177.0242 123 M 4.5222 10.6474 118.9359 53.1518 34.8897 174.2102 124 P 4.6979 0.0000 0.0000 62.9912 31.9618 176.0045 125 A 4.2609 8.4627 126.7816 52.5728 19.1254 177.2994 126 S 4.5096 8.4952 115.2475 57.2844 65.8098 172.7213 127 N 4.5227 9.0539 124.2564 55.2781 39.9499 175.3757 *128 E 4.1515 7.9883 116.5936 56.0989 30.5139 177.3796 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 D 8.36 4.56 0.00 2.68 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 3 A 7.86 4.62 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 4 P 0.00 3.98 0.00 2.23 2.28 0.00 3.72 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 2.08 2.04 0.00 5 R 7.54 3.78 0.00 1.90 2.05 0.00 3.30 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 6 L 8.62 4.30 0.00 1.63 1.73 0.92 1.03 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 7 T 7.87 4.24 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 8 G 7.85 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 9 A 8.63 3.50 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 D 9.19 4.20 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.56 3.52 0.00 1.93 1.99 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 12 P 0.00 3.89 0.00 2.23 2.14 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 13 M 8.80 3.22 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 14 S 7.79 4.06 0.00 3.98 3.90 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 15 E 7.32 4.48 0.00 2.06 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 0.00 2.08 2.04 0.00 16 V 7.90 4.41 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 0.88 0.00 0.00 0.93 0.00 0.00 17 A 8.47 4.29 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 18 A 8.32 4.48 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 19 P 0.00 4.41 0.00 2.05 2.02 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 P 0.00 4.48 0.00 2.17 2.04 0.00 3.80 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 1.98 1.98 0.00 21 L 8.44 3.84 0.00 1.64 1.69 0.91 1.04 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 22 P 0.00 4.58 0.00 2.03 2.10 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 23 E 8.31 4.62 0.00 2.02 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 2.29 2.32 0.00 24 T 8.54 4.29 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 1.24 0.00 0.00 25 I 8.71 4.23 1.93 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 1.22 0.67 0.90 0.00 0.00 26 T 8.54 4.21 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 27 D 7.88 4.42 0.00 2.82 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 28 D 8.58 4.84 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 4.41 0.00 1.85 1.87 0.00 3.17 0.00 0.00 3.51 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 30 R 8.48 4.04 0.00 1.79 1.86 0.00 3.19 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 31 V 8.31 3.81 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 0.78 0.00 0.00 0.91 0.00 0.00 32 G 8.35 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 33 R 8.16 4.55 0.00 1.64 1.66 0.00 3.18 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 34 N 8.36 4.91 0.00 2.99 3.15 0.00 0.00 6.58 7.46 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 35 Y 6.94 4.96 0.00 3.04 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 36 P 0.00 4.38 0.00 2.27 2.12 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 37 E 8.76 3.91 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 38 Q 7.80 4.14 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 39 P 0.00 4.24 0.00 2.39 2.10 0.00 3.81 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 1.98 2.02 0.00 40 P 0.00 4.27 0.00 1.93 1.98 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 41 V 7.88 4.13 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 0.81 0.00 0.00 0.91 0.00 0.00 42 I 8.48 3.93 1.83 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 1.28 0.96 0.80 0.00 0.00 43 P 0.00 4.56 0.00 2.16 2.20 0.00 3.49 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 1.92 1.91 0.00 44 H 7.33 5.05 0.00 3.19 3.61 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.43 4.45 0.00 3.78 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.82 3.88 1.82 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 1.48 0.52 0.92 0.00 0.00 47 E 8.26 3.13 0.00 1.83 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 2.16 2.17 0.00 48 G 8.78 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 4.49 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 50 Q 8.84 4.63 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 51 L 8.60 5.05 0.00 1.62 1.38 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.47 4.86 0.00 4.00 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 53 V 8.65 3.90 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 0.84 0.00 0.00 1.01 0.00 0.00 54 N 7.56 4.76 0.00 2.96 2.86 0.00 0.00 6.74 7.23 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 55 A 7.83 4.62 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 56 N 8.23 4.81 0.00 2.11 2.50 0.00 0.00 6.95 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 57 R 8.78 3.85 0.00 1.81 1.69 0.00 3.13 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.89 0.00 58 C 7.89 3.95 0.00 2.98 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 59 L 7.78 4.27 0.00 1.69 1.70 0.90 0.81 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 60 E 7.86 4.15 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 61 C 8.20 4.63 0.00 2.84 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 62 H 7.95 4.80 0.00 3.14 3.26 0.00 5.70 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 63 R 7.89 4.81 0.00 1.89 2.03 0.00 3.05 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 64 R 8.79 4.66 0.00 1.92 1.54 0.00 2.95 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 65 Q 8.35 4.63 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.22 1.93 0.00 66 Y 8.31 4.52 0.00 3.08 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 0.00 0.00 0.00 0.00 67 S 10.22 3.72 0.00 4.09 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 0.00 68 G 8.46 4.06 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 0.00 69 L 8.02 4.33 0.00 1.58 1.60 0.92 0.80 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 70 V 8.13 4.20 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 0.79 0.00 0.00 0.91 0.00 0.00 71 A 8.13 4.69 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 72 A 8.31 4.15 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 73 P 0.00 4.34 0.00 2.14 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 74 M 8.20 4.70 0.00 1.82 2.29 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 75 I 7.24 4.60 1.90 0.00 0.00 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 1.69 0.50 0.85 0.00 0.00 76 S 8.37 4.38 0.00 4.04 4.03 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 77 I 8.07 3.18 1.66 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.36 0.79 0.00 0.00 78 T 7.81 4.08 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 1.22 0.00 0.00 79 H 8.54 4.77 0.00 3.60 3.57 0.00 5.79 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 80 F 8.67 4.73 0.00 3.10 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.40 4.86 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 82 D 8.72 4.79 0.00 2.81 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 83 R 8.22 3.98 0.00 1.80 1.91 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 84 E 8.85 4.02 0.00 2.09 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 0.00 2.17 2.33 0.00 85 G 8.57 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 86 Q 7.90 4.12 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 87 M 8.47 4.69 0.00 2.07 2.04 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 2.66 2.72 0.00 88 L 8.68 4.31 0.00 1.86 1.53 0.95 0.68 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 89 A 8.24 4.43 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 90 D 6.85 3.37 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.30 3.54 2.00 0.00 0.00 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 1.03 0.00 0.00 92 S 8.52 4.52 0.00 4.03 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 93 P 0.00 4.36 0.00 2.18 2.05 0.00 3.58 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 2.06 2.01 0.00 94 R 7.15 4.42 0.00 2.15 1.97 0.00 3.07 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 95 R 8.93 4.28 0.00 2.20 2.53 0.00 3.31 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 96 Y 7.75 4.05 0.00 2.96 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 97 F 8.22 4.13 0.00 3.30 3.08 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 0.00 98 C 8.60 4.21 0.00 3.00 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 99 T 8.14 4.06 4.30 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 1.27 0.00 0.00 100 A 7.57 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 C 8.48 4.67 0.00 2.75 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 0.00 102 H 8.06 4.86 0.00 3.14 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.16 4.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 104 P 0.00 5.12 0.00 2.10 2.05 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 105 Q 8.39 4.77 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 106 T 8.32 4.86 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 0.00 107 N 8.52 4.74 0.00 2.77 2.80 0.00 0.00 6.91 7.34 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 0.00 108 A 8.09 4.62 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 0.00 109 Q 8.80 4.28 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 110 P 0.00 4.29 0.00 2.18 2.00 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 111 L 8.49 4.24 0.00 1.64 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 V 6.96 4.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.94 0.00 0.00 113 T 8.47 4.05 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 1.22 0.00 0.00 114 N 8.55 4.91 0.00 2.72 2.82 0.00 0.00 7.05 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 0.00 115 E 8.62 4.51 0.00 2.03 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 2.30 2.31 0.00 116 F 8.19 4.47 0.00 3.20 3.01 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 0.00 117 R 7.75 4.78 0.00 1.48 1.53 0.00 3.56 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 118 D 8.27 4.32 0.00 2.76 2.45 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 0.00 119 M 8.89 3.99 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 120 L 7.63 4.38 0.00 1.58 1.59 0.94 1.38 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 0.00 121 T 8.40 3.27 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 1.20 0.00 0.00 122 L 7.64 4.57 0.00 1.61 1.67 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 123 M 10.65 4.52 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 124 P 0.00 4.70 0.00 1.97 2.01 0.00 3.73 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 2.02 2.10 0.00 125 A 8.46 4.26 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 0.00 126 S 8.50 4.51 0.00 3.94 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 0.00 127 N 9.05 4.52 0.00 2.72 3.06 0.00 0.00 6.99 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 *128 E 7.99 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.