NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2935 0.0000 0.0000 62.3489 32.7007 178.3104 3 R 3.8473 7.7665 118.7035 56.2664 28.8156 174.0820 4 A 4.3808 8.0728 133.4520 51.8085 19.7654 176.6495 5 K 3.9966 7.8130 119.8719 56.9830 33.6987 176.5964 6 T 3.7868 8.3493 115.3915 65.8867 67.8629 177.3622 7 G 3.9336 7.7838 110.4493 44.8167 0.0000 173.3376 8 V 3.7571 8.8143 116.7761 65.9024 30.6720 178.6591 9 V 3.1088 6.6602 110.0964 63.0100 31.1572 177.8687 10 R 3.9071 8.0736 118.1824 60.0449 30.2755 178.4606 11 R 3.9685 7.5678 116.8155 60.0183 29.7600 178.5538 12 R 4.0163 8.1178 117.0504 58.8052 29.7624 178.8325 13 K 4.1133 8.8018 118.4066 58.2077 32.4670 178.1178 14 H 4.6002 7.9771 115.9268 57.6437 29.8159 177.1608 15 K 4.2509 7.9032 120.0243 59.4260 31.8436 178.1698 16 K 4.2583 7.0895 117.3091 56.8541 31.9368 176.4909 17 I 4.3474 8.0317 119.9715 63.3996 39.8449 177.8400 18 L 3.8642 7.9851 119.6505 58.0000 41.7539 179.7477 19 K 3.8450 7.5004 115.6507 59.5616 32.0536 178.4233 20 L 3.8749 7.6433 116.9216 57.2631 42.0607 178.2555 21 A 3.3892 7.2370 122.1817 50.0372 17.5683 175.8826 22 K 4.3201 7.1948 120.3042 55.0762 34.8759 177.6262 23 G 3.9889 8.8650 110.5760 45.4017 0.0000 172.9950 24 Y 4.7251 7.4267 117.2179 56.8646 38.6124 175.0203 25 W 4.2040 8.8682 134.1435 58.1513 32.2532 176.7872 26 G 4.1866 8.6735 112.5617 46.0701 0.0000 174.4794 27 L 4.5679 8.4705 124.1317 55.3266 41.8272 178.0910 28 R 4.4877 7.7654 118.0113 57.2115 30.2026 177.5651 29 S 5.0964 7.8788 109.4769 57.6042 63.9777 174.7058 30 K 4.4099 7.9054 118.3410 56.5485 34.8894 176.1071 31 S 4.5005 8.3583 117.1266 57.2939 63.0165 174.6279 *32 F 4.0658 9.0420 126.9414 60.1606 38.1277 173.6996 33 R 4.1988 8.0505 120.0944 57.2607 29.2476 179.0112 34 K 4.0086 8.5701 121.0210 60.4152 32.7764 177.4148 35 A 4.9959 8.4009 121.0475 54.9487 18.4745 179.1164 36 R 3.6991 8.1574 115.4354 59.9010 30.2133 178.2636 37 E 4.6548 8.9397 118.1563 60.3336 29.5813 179.7883 38 T 3.9035 8.9038 116.5372 66.5641 68.4762 176.5554 39 L 4.1203 7.9324 120.5621 57.1460 41.2834 179.3643 40 F 4.2405 7.6224 117.6680 60.5693 38.7604 176.4571 41 A 3.6393 7.8696 119.6514 55.3794 17.7062 179.1729 42 A 4.1609 8.0499 116.6526 55.3386 18.4353 180.1610 43 G 4.2392 7.8836 104.2450 47.8534 0.0000 175.4913 44 N 4.5533 7.9189 118.7199 55.7651 39.1474 176.9375 45 Y 4.8090 8.2970 118.3396 62.1552 38.0165 178.3438 46 A 4.1475 9.5367 122.7635 53.9945 18.3987 178.7440 47 Y 4.3559 8.0298 115.7292 61.2630 38.9871 178.3960 48 A 3.5412 9.2618 119.4425 56.2518 18.3910 178.8887 49 H 4.2231 8.3174 113.4334 57.9925 28.4093 178.5450 50 R 3.9707 8.3391 120.8463 59.1495 29.7864 178.2471 51 K 4.4428 7.6025 114.6054 56.7944 32.2995 178.0525 52 R 4.3440 7.3715 119.4395 57.4725 31.5304 177.8359 53 R 3.7817 9.5026 118.5630 58.9385 30.0890 177.8609 54 K 3.7793 7.9684 117.2590 59.9751 31.5805 178.9785 55 R 4.0290 7.7097 117.2855 58.5708 29.7328 178.6627 56 D 4.2699 7.7235 119.5353 56.9207 40.8100 178.1510 57 F 4.2931 7.6736 117.5288 59.2284 39.1303 178.1239 58 R 4.0373 7.6857 116.5991 59.4317 29.9039 177.9368 59 R 4.2374 7.5807 116.2307 58.2472 30.5603 178.7973 60 L 3.6261 7.4956 117.1107 57.8745 41.7171 180.0070 61 W 4.5450 7.9469 118.6193 59.9297 29.0671 178.6698 62 I 3.7735 8.8381 121.0200 64.1790 36.5202 178.6188 63 V 3.5466 7.6932 118.7434 66.3315 31.3953 177.7864 64 R 4.0074 7.9496 116.6087 58.7431 29.6045 179.0101 65 I 3.7514 8.5269 119.6737 64.5897 37.2291 177.8024 66 N 4.4251 8.2676 116.9775 56.7159 38.8358 176.8024 67 A 3.5997 7.6237 119.7188 54.5051 18.7569 178.7333 68 A 4.4104 7.9003 119.1731 54.5928 19.7942 179.1395 69 C 4.0780 7.5415 111.1133 60.5805 29.2336 175.9720 70 R 4.8711 8.7403 124.2591 58.8830 29.4671 177.4269 71 Q 4.3529 7.4677 114.5610 57.1241 29.2396 175.4886 72 H 4.7667 8.1958 116.6318 56.1980 29.6375 175.6997 73 G 3.9605 8.1638 107.2619 45.4386 0.0000 173.4356 74 L 4.9359 7.4053 118.7382 53.3119 43.6938 174.6617 75 N 5.1784 8.2576 114.5102 51.0838 41.5505 173.2157 76 Y 4.0850 9.0853 119.8746 61.4223 38.3862 178.7032 77 S 4.1511 8.1745 116.1628 62.1669 63.5692 176.9843 78 T 4.0948 8.6611 118.4632 66.5458 68.1564 176.4553 79 F 4.2287 8.3646 119.8614 59.7022 38.5301 175.7181 80 I 4.1278 7.4700 117.5914 62.5483 37.8467 176.2647 81 H 4.4107 8.6640 120.8383 58.6152 29.8736 176.9959 82 G 3.7154 7.6812 104.7326 47.8460 0.0000 174.7957 83 L 3.7758 7.4086 122.1565 56.9737 41.9671 179.5459 84 K 4.0059 7.0830 117.9145 59.4649 32.2945 178.3329 85 K 3.9375 8.4039 119.0898 58.6749 33.5386 177.7955 86 A 4.2695 8.3411 123.6976 54.2162 15.0164 177.9451 87 G 4.0529 6.8482 106.5413 45.6584 0.0000 173.6386 88 I 4.2636 7.4173 119.5723 58.7105 36.8104 174.7595 89 E 4.3782 8.2147 132.2490 56.9614 31.5690 177.8371 90 V 3.4196 8.8100 120.1761 64.4537 30.2457 179.4678 91 D 3.7363 8.9943 117.3100 56.4183 43.7011 170.6456 92 R 3.8189 7.5178 129.6627 55.9651 30.1020 176.9853 93 K 4.2662 8.6836 125.4913 59.5319 31.7072 176.9706 94 N 2.0000 7.6961 115.2629 56.2810 38.7185 176.1105 95 L 4.0228 6.6649 115.6468 55.0733 41.7713 177.5031 96 A 4.7154 9.1483 119.9930 51.8004 19.1454 178.8247 97 D 4.6610 7.6622 117.3459 55.3703 39.3783 177.1801 98 L 4.3533 7.3239 120.1406 56.4317 41.9682 178.3313 99 A 2.0000 7.2323 120.3549 54.7267 18.3904 178.6603 100 V 3.3474 7.3832 115.5260 67.7856 31.9159 180.4340 101 R 4.0490 9.2266 126.6336 58.6909 31.9511 178.9235 102 E 3.6899 7.9754 112.7062 57.5968 25.8726 174.9391 103 P 4.1707 0.0000 0.0000 66.1408 31.6638 178.6060 104 Q 4.1659 8.0310 117.1040 58.5235 28.9157 178.2976 105 V 3.7891 7.6992 118.8918 66.1573 31.6143 177.1386 106 F 4.3097 9.1515 121.4534 60.4324 39.3614 176.6643 107 A 4.0571 8.9952 120.9002 56.0159 18.1435 178.4034 108 E 3.8831 8.6487 118.2838 59.3275 29.5598 178.7482 109 L 3.8347 8.3022 119.4129 57.5490 41.6313 179.6939 110 V 3.6835 7.7096 118.0732 66.3655 31.8353 177.6638 111 E 4.1061 8.0644 117.5793 59.4465 29.2521 179.4260 112 R 4.0633 7.9765 115.9669 58.2016 30.2950 178.5633 113 A 3.8965 7.9021 122.2050 54.6802 18.4508 179.0867 114 K 4.0778 7.6234 112.0200 57.5230 32.2814 178.7347 115 A 3.9174 7.5565 122.9694 55.6363 18.4261 179.2543 116 A 3.9774 7.7666 118.4244 55.3158 19.0787 178.5651 117 Q 4.3552 7.2084 115.5893 53.9547 27.3404 176.3602 118 G 3.7148 7.4675 109.8411 45.8908 0.0000 170.8443 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 P 0.00 4.29 0.00 2.06 2.12 0.00 3.65 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 1.92 2.08 0.00 3 R 7.77 3.85 0.00 1.85 1.88 0.00 3.23 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 1.61 1.69 0.00 4 A 8.07 4.38 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 5 K 7.81 4.00 0.00 1.87 1.88 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.52 7.81 6 T 8.35 3.79 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 7 G 7.78 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.81 3.76 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 9 V 6.66 3.11 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 0.80 0.00 0.00 1.04 0.00 0.00 10 R 8.07 3.91 0.00 1.90 1.97 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 11 R 7.57 3.97 0.00 1.96 2.07 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 12 R 8.12 4.02 0.00 2.16 1.97 0.00 3.17 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 13 K 8.80 4.11 0.00 1.70 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.63 7.81 14 H 7.98 4.60 0.00 3.21 3.34 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.90 4.25 0.00 2.00 2.09 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.49 7.81 16 K 7.09 4.26 0.00 1.87 1.85 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.52 7.81 17 I 8.03 4.35 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.87 0.00 0.00 18 L 7.99 3.86 0.00 1.65 1.70 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.50 3.84 0.00 1.83 1.83 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 20 L 7.64 3.87 0.00 1.69 1.69 0.88 0.83 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 21 A 7.24 3.39 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.19 4.32 0.00 1.57 1.60 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.26 7.81 23 G 8.86 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 24 Y 7.43 4.73 0.00 2.93 2.89 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 0.00 0.00 0.00 25 W 8.87 4.20 0.00 3.52 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 26 G 8.67 4.19 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 0.00 27 L 8.47 4.57 0.00 1.82 1.73 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.77 4.49 0.00 1.97 2.06 0.00 3.05 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 29 S 7.88 5.10 0.00 4.02 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 30 K 7.91 4.41 0.00 1.72 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.36 7.81 31 S 8.36 4.50 0.00 3.88 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 *32 F 9.04 4.07 0.00 2.24 2.31 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 33 R 8.05 4.20 0.00 1.89 1.85 0.00 3.17 0.00 0.00 3.37 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 34 K 8.57 4.01 0.00 1.94 1.93 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.55 7.81 35 A 8.40 5.00 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 36 R 8.16 3.70 0.00 2.05 2.34 0.00 3.27 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 37 E 8.94 4.65 0.00 2.31 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 0.00 2.56 2.70 0.00 38 T 8.90 3.90 4.40 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 0.98 0.00 0.00 39 L 7.93 4.12 0.00 1.51 1.55 0.84 1.14 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 40 F 7.62 4.24 0.00 3.12 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 41 A 7.87 3.64 1.08 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 0.00 0.00 42 A 8.05 4.16 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 43 G 7.88 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 0.00 0.00 0.00 0.00 44 N 7.92 4.55 0.00 2.87 2.95 0.00 0.00 7.05 7.20 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 45 Y 8.30 4.81 0.00 2.97 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 46 A 9.54 4.15 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 47 Y 8.03 4.36 0.00 2.93 3.28 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 48 A 9.26 3.54 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 49 H 8.32 4.22 0.00 3.26 3.25 0.00 5.63 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 50 R 8.34 3.97 0.00 2.06 2.08 0.00 3.37 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 51 K 7.60 4.44 0.00 1.54 1.77 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.54 7.81 52 R 7.37 4.34 0.00 1.88 1.84 0.00 3.07 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 53 R 9.50 3.78 0.00 1.66 1.89 0.00 2.98 0.00 0.00 2.93 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 0.00 54 K 7.97 3.78 0.00 1.77 1.78 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.65 7.81 55 R 7.71 4.03 0.00 1.77 1.93 0.00 3.11 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 56 D 7.72 4.27 0.00 2.51 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.67 4.29 0.00 2.30 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.69 4.04 0.00 1.92 2.09 0.00 3.20 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 59 R 7.58 4.24 0.00 1.82 1.86 0.00 3.19 0.00 0.00 3.12 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 60 L 7.50 3.63 0.00 1.42 1.60 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.95 4.55 0.00 3.54 3.19 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 62 I 8.84 3.77 1.78 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 1.44 1.22 -0.07 0.00 0.00 63 V 7.69 3.55 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 1.04 0.00 0.00 0.98 0.00 0.00 64 R 7.95 4.01 0.00 2.17 1.88 0.00 3.51 0.00 0.00 3.23 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 65 I 8.53 3.75 2.26 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.23 1.35 0.00 0.00 66 N 8.27 4.43 0.00 2.94 2.86 0.00 0.00 7.09 8.30 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 67 A 7.62 3.60 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 68 A 7.90 4.41 1.54 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 0.00 0.00 69 C 7.54 4.08 0.00 2.52 1.74 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 70 R 8.74 4.87 0.00 1.96 2.01 0.00 3.15 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 71 Q 7.47 4.35 0.00 2.28 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.19 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 72 H 8.20 4.77 0.00 3.34 3.25 0.00 5.92 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 73 G 8.16 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 74 L 7.41 4.94 0.00 2.03 1.83 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.26 5.18 0.00 3.05 2.97 0.00 0.00 5.56 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 76 Y 9.09 4.08 0.00 3.32 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.17 4.15 0.00 3.96 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 78 T 8.66 4.09 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 1.25 0.00 0.00 79 F 8.36 4.23 0.00 3.02 3.16 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 0.00 0.00 0.00 0.00 80 I 7.47 4.13 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.83 0.00 0.00 81 H 8.66 4.41 0.00 3.25 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.68 3.72 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 0.00 0.00 0.00 83 L 7.41 3.78 0.00 1.38 1.60 0.10 0.50 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 84 K 7.08 4.01 0.00 2.09 1.85 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 85 K 8.40 3.94 0.00 1.50 1.82 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.40 7.81 86 A 8.34 4.27 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 87 G 6.85 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.42 4.26 1.82 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 1.39 0.66 0.96 0.00 0.00 89 E 8.21 4.38 0.00 1.94 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 2.29 2.29 0.00 90 V 8.81 3.42 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 0.88 0.00 0.00 0.86 0.00 0.00 91 D 8.99 3.74 0.00 2.77 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 92 R 7.52 3.82 0.00 2.24 1.86 0.00 3.16 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 93 K 8.68 4.27 0.00 2.05 2.29 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.24 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.74 1.87 7.81 94 N 7.70 2.00 0.00 2.57 2.41 0.00 0.00 7.21 6.66 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 95 L 6.66 4.02 0.00 1.87 1.60 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 96 A 9.15 4.72 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.66 4.66 0.00 2.75 2.66 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 98 L 7.32 4.35 0.00 1.71 1.85 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.23 2.00 0.21 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 0.00 100 V 7.38 3.35 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 0.84 0.00 0.00 0.81 0.00 0.00 101 R 9.23 4.05 0.00 1.82 1.79 0.00 3.18 0.00 0.00 3.20 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 102 E 7.98 3.69 0.00 2.11 2.20 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 2.36 2.28 0.00 103 P 0.00 4.17 0.00 2.31 2.33 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 104 Q 8.03 4.17 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 105 V 7.70 3.79 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 1.07 0.00 0.00 1.00 0.00 0.00 106 F 9.15 4.31 0.00 3.43 3.19 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 0.00 107 A 9.00 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.65 3.88 0.00 2.18 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 2.31 2.50 0.00 109 L 8.30 3.83 0.00 1.74 1.55 0.93 0.82 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 0.00 110 V 7.71 3.68 2.20 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 0.80 0.00 0.00 0.50 0.00 0.00 111 E 8.06 4.11 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 2.58 2.49 0.00 112 R 7.98 4.06 0.00 1.68 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 1.78 1.81 0.00 113 A 7.90 3.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.62 4.08 0.00 2.17 2.04 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.59 7.81 115 A 7.56 3.92 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 0.00 116 A 7.77 3.98 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 0.00 117 Q 7.21 4.36 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 118 G 7.47 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 * Residues marked with a * may have inaccurate shift predictions.