NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0119 8.5298 120.1052 55.5788 33.3947 174.1024 2 K 4.9770 8.4167 122.0672 55.2222 36.7692 172.6717 3 M 5.0332 9.1673 120.1490 53.7327 35.5933 175.2735 4 V 4.6832 8.6124 126.3037 61.4340 33.8679 174.3569 5 V 4.7565 8.7435 128.1268 61.2098 33.8009 174.1314 6 V 4.7203 9.4100 129.5950 61.5193 33.4049 174.4422 7 I 4.8303 8.5650 128.4035 59.2765 40.5531 175.1083 8 R 4.5129 8.4607 125.5647 56.2446 30.3249 176.0240 9 N 4.9668 9.0786 121.6728 53.1384 39.8806 174.3006 10 D 4.8580 8.0738 115.4203 53.4964 39.8807 177.0752 11 L 4.4384 7.8419 118.3473 54.1978 42.5557 176.7738 12 G 3.9282 8.2148 106.0485 46.4660 0.0000 173.7757 13 M 4.1101 8.0631 118.8768 54.6712 32.6327 177.4450 14 G 3.9130 8.4033 109.6476 43.8431 0.0000 174.9381 15 K 4.0608 8.4937 118.8185 59.5166 32.0786 179.8497 16 G 3.6332 8.0865 105.4671 47.7631 0.0000 175.4165 17 K 4.0061 7.9559 121.3688 59.4033 32.2654 178.7386 18 M 4.0318 7.9833 119.0805 58.3057 31.8989 178.7747 19 V 3.5328 8.0013 118.2652 65.9265 31.6095 177.6878 20 A 3.8461 7.9131 120.2634 55.4096 18.1707 179.5687 21 Q 4.0722 8.2387 116.4176 59.1584 28.7889 179.4591 22 G 3.7127 8.5781 107.2552 47.6948 0.0000 175.9520 23 G 3.5786 8.4404 108.4762 47.8066 0.0000 175.5050 24 H 4.2456 8.3021 118.7141 58.6552 28.7170 177.6263 25 A 4.1394 8.1867 124.0336 54.6045 18.0820 179.5964 26 I 3.6549 8.2630 118.4850 64.6201 37.2019 178.3643 27 I 3.7295 7.9227 119.2054 64.2059 37.8355 177.5478 28 E 3.9851 8.3637 119.0170 59.6730 29.4051 179.2984 29 A 4.1154 8.3113 120.7196 55.0095 18.2999 179.4330 30 F 3.9798 8.4637 119.4510 61.5913 39.3888 177.4794 31 L 3.7197 8.5134 119.0416 57.6771 41.2806 178.9522 32 D 4.2893 8.6739 118.2865 57.1264 41.1849 178.1994 33 A 3.8900 8.3063 121.8026 54.6658 18.2639 179.3236 34 K 3.6516 8.0513 117.8534 58.7763 32.0798 178.2664 35 R 4.2658 7.2761 114.9872 58.2196 30.3357 178.5714 36 K 4.1560 7.5197 118.2233 58.0569 33.8215 177.6321 37 N 4.9660 7.7378 115.9129 49.8417 38.5561 173.6236 38 P 4.2580 0.0000 0.0000 64.2397 32.2875 176.9443 39 R 4.2280 7.9509 117.9232 58.5983 30.6193 177.7801 40 A 4.0848 8.0293 119.9283 55.0092 18.0750 179.6533 41 V 3.6996 7.7242 116.4576 66.5544 31.7358 177.8741 42 D 4.4594 8.1153 118.1372 57.2946 40.5628 178.0623 43 E 4.0718 8.1580 119.0370 58.9917 29.7442 178.5418 44 W 4.4411 8.4014 128.3158 60.4980 30.7110 178.2565 45 L 3.6068 8.3457 118.0187 57.2991 41.0941 178.7509 46 R 4.3800 8.1702 115.7774 56.1814 30.3238 176.2481 47 E 4.5968 7.5865 118.3409 56.0784 30.6427 176.9296 48 G 3.7563 8.2595 107.3460 44.5135 0.0000 173.9171 49 Q 2.0000 7.4935 116.5604 55.0443 28.1352 173.9832 50 K 4.0312 7.6283 117.4826 58.3067 33.7298 175.1388 51 K 5.2972 8.5364 122.8549 54.9795 36.3754 175.5612 52 V 4.3549 8.8939 124.6024 61.0841 34.3471 174.2249 53 V 4.6238 8.4335 128.0455 61.8541 32.9251 175.0158 54 V 5.0179 8.7701 121.4600 59.4127 35.1892 174.6317 55 K 5.7329 8.7179 120.0218 54.5066 35.7941 175.8070 56 V 4.5701 8.1831 112.5536 59.6049 36.5693 175.3799 57 N 5.4479 8.8097 117.4822 51.7660 39.2606 175.4206 58 S 4.5953 7.4880 110.6196 56.3432 66.4419 175.2359 59 E 3.8587 8.4778 123.8928 59.3115 29.2453 178.7498 60 K 4.0340 8.0621 119.1618 59.6564 32.2558 177.6570 61 E 4.1848 7.9218 119.0292 59.4007 29.4724 178.5892 62 L 3.9290 7.8531 119.8436 58.2909 42.0068 178.7556 63 I 3.7137 8.4384 120.6397 64.6670 37.0255 177.9655 64 D 4.6109 9.1567 120.2805 57.6167 40.7345 178.9696 65 I 3.7087 8.3069 120.4329 64.6087 36.8915 177.8691 66 Y 3.9763 8.2630 119.3788 60.8102 38.9018 177.2237 67 N 4.3826 9.1924 118.4931 56.4736 38.6708 176.9000 68 K 3.8353 8.6369 121.7752 59.0153 32.2025 178.5914 69 A 3.8837 7.9615 120.5224 54.8341 17.9835 179.4541 70 R 3.7744 7.9397 118.0476 59.1521 29.9134 178.4822 71 S 3.7296 7.9574 112.9069 61.4000 62.8670 175.6129 72 E 3.9620 8.1466 119.8572 56.8413 29.4147 177.4028 73 G 3.8941 8.7951 107.1184 45.8823 0.0000 173.4470 74 L 4.2317 7.2333 119.8206 53.4420 42.4544 175.5001 75 P 4.5782 0.0000 0.0000 63.1831 32.6553 175.0341 76 C 5.6763 8.4480 116.8574 59.2087 33.0986 172.2850 77 S 4.9663 8.0772 112.2416 57.3933 66.3624 172.6753 78 I 4.6704 8.2202 119.6508 59.3173 40.7070 174.0932 79 I 4.6159 8.7980 129.6122 59.4252 40.3585 174.4025 80 R 4.8635 8.5785 125.5906 54.4549 32.8447 174.3337 81 D 4.8052 8.1500 123.6981 52.2806 42.8956 176.0173 82 A 4.2421 8.7524 130.4328 52.3661 17.4865 175.6291 83 G 4.0358 8.1960 109.0729 46.9490 0.0000 170.7660 *89 P 4.2222 0.0000 0.0000 59.2504 33.5337 176.5982 90 G 4.8733 6.7478 127.0700 46.2775 0.0000 170.6212 91 T 4.6611 7.2460 120.4109 59.2452 71.0427 172.6394 92 L 4.3572 7.9443 124.0204 54.7484 42.4536 177.4020 93 T 4.4818 8.5895 112.5537 63.0115 70.8412 174.2153 94 A 5.0603 7.5460 121.3610 50.8864 22.7443 175.2506 95 V 4.9542 8.9185 118.6933 61.0650 35.6427 174.2106 96 A 5.3223 8.7507 127.1490 50.2068 22.2133 174.7922 97 I 4.5104 9.2108 123.9782 60.9814 39.9041 175.2966 98 G 3.9616 8.8180 114.5100 42.9753 0.0000 171.0778 99 P 4.7536 0.0000 0.0000 62.8534 32.0722 174.8785 100 E 4.6763 8.1221 120.0018 55.3572 33.4788 174.5855 101 K 3.9815 8.3367 120.1125 57.1988 32.7546 178.3185 102 D 4.3293 9.0036 124.3135 57.5266 40.5257 178.7724 103 E 3.9543 8.2324 117.6599 59.6911 29.0961 178.5568 104 K 3.9185 7.9783 118.9454 59.4436 32.5160 178.2002 105 I 3.8176 7.8673 119.4106 64.4024 37.0546 178.0553 106 D 4.4374 8.4264 120.1075 57.6536 40.5255 179.1420 107 K 3.6941 7.5043 115.9177 58.9466 32.0157 178.3776 108 I 4.2440 7.5430 118.3668 62.8914 38.4658 176.9974 109 T 4.3547 8.1607 109.8231 62.8655 69.3580 177.3772 110 G 3.7692 8.4830 111.2452 48.7653 0.0000 174.4855 111 H 4.4455 8.0459 113.9729 57.2758 29.2141 175.6994 112 L 4.1500 7.9832 121.4836 54.6264 42.0500 177.4714 113 K 4.3410 8.5508 121.4890 56.1234 33.7537 176.0602 114 L 4.6489 8.2645 122.1023 53.8681 42.8248 176.9681 115 L 4.1077 8.4244 123.6634 55.4329 41.9822 176.5551 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 8.53 5.01 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 2 K 8.42 4.98 0.00 2.00 2.00 0.00 1.49 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.54 7.81 3 M 9.17 5.03 0.00 2.17 1.44 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 4 V 8.61 4.68 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 0.77 0.00 0.00 0.93 0.00 0.00 5 V 8.74 4.76 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 0.99 0.00 0.00 0.97 0.00 0.00 6 V 9.41 4.72 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 0.99 0.00 0.00 0.95 0.00 0.00 7 I 8.56 4.83 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 1.24 0.89 0.92 0.00 0.00 8 R 8.46 4.51 0.00 1.74 1.87 0.00 3.28 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 9 N 9.08 4.97 0.00 2.68 2.93 0.00 0.00 7.11 8.42 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 10 D 8.07 4.86 0.00 2.84 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 11 L 7.84 4.44 0.00 1.64 1.73 0.92 0.93 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 12 G 8.21 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 13 M 8.06 4.11 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 14 G 8.40 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 0.00 0.00 0.00 15 K 8.49 4.06 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 16 G 8.09 3.63 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 17 K 7.96 4.01 0.00 1.80 1.93 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.47 7.81 18 M 7.98 4.03 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.55 0.00 19 V 8.00 3.53 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 0.99 0.00 0.00 0.95 0.00 0.00 20 A 7.91 3.85 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 21 Q 8.24 4.07 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 22 G 8.58 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 23 G 8.44 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.30 4.25 0.00 3.34 3.33 0.00 5.63 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 25 A 8.19 4.14 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 26 I 8.26 3.65 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.97 0.00 0.00 27 I 7.92 3.73 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 1.08 0.00 0.00 28 E 8.36 3.99 0.00 2.24 2.04 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 2.64 2.52 0.00 29 A 8.31 4.12 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 30 F 8.46 3.98 0.00 3.15 3.25 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 31 L 8.51 3.72 0.00 1.89 1.71 1.01 0.92 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 32 D 8.67 4.29 0.00 2.74 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 33 A 8.31 3.89 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 34 K 8.05 3.65 0.00 1.26 1.77 0.00 1.48 0.00 0.00 1.34 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.36 7.81 35 R 7.28 4.27 0.00 1.91 1.98 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 36 K 7.52 4.16 0.00 1.64 1.85 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.60 7.81 37 N 7.74 4.97 0.00 2.76 2.66 0.00 0.00 7.12 7.75 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 38 P 0.00 4.26 0.00 1.99 2.08 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.34 0.00 39 R 7.95 4.23 0.00 1.85 1.90 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 40 A 8.03 4.08 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 41 V 7.72 3.70 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 1.28 0.00 0.00 0.73 0.00 0.00 42 D 8.12 4.46 0.00 2.78 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 43 E 8.16 4.07 0.00 2.01 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 2.38 2.45 0.00 44 W 8.40 4.44 0.00 3.52 3.55 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 45 L 8.35 3.61 0.00 1.66 1.66 1.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.17 4.38 0.00 1.76 1.95 0.00 3.12 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 47 E 7.59 4.60 0.00 1.89 1.88 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 2.20 2.43 0.00 48 G 8.26 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 0.00 0.00 0.00 49 Q 7.49 2.00 0.00 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 50 K 7.63 4.03 0.00 1.89 1.91 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.56 7.81 51 K 8.54 5.30 0.00 1.71 1.75 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.69 1.91 7.81 52 V 8.89 4.35 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 1.05 0.00 0.00 0.97 0.00 0.00 53 V 8.43 4.62 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 0.95 0.00 0.00 0.96 0.00 0.00 54 V 8.77 5.02 2.14 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 0.72 0.00 0.00 0.98 0.00 0.00 55 K 8.72 5.73 0.00 1.78 1.73 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.23 7.81 56 V 8.18 4.57 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 0.77 0.00 0.00 0.94 0.00 0.00 57 N 8.81 5.45 0.00 2.70 2.79 0.00 0.00 6.79 7.10 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 58 S 7.49 4.60 0.00 3.99 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 59 E 8.48 3.86 0.00 2.05 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 2.36 2.35 0.00 60 K 8.06 4.03 0.00 1.86 1.81 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.52 7.81 61 E 7.92 4.18 0.00 2.06 2.14 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 2.34 2.38 0.00 62 L 7.85 3.93 0.00 1.95 1.90 0.94 1.18 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 63 I 8.44 3.71 2.07 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.95 0.95 0.00 0.00 64 D 9.16 4.61 0.00 2.71 2.75 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 0.00 0.00 0.00 0.00 65 I 8.31 3.71 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.22 0.93 0.00 0.00 66 Y 8.26 3.98 0.00 2.96 3.20 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 67 N 9.19 4.38 0.00 2.87 2.88 0.00 0.00 6.68 7.56 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 68 K 8.64 3.84 0.00 1.84 1.80 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.36 7.81 69 A 7.96 3.88 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 70 R 7.94 3.77 0.00 1.69 1.85 0.00 2.54 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 71 S 7.96 3.73 0.00 4.01 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 0.00 72 E 8.15 3.96 0.00 2.02 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 2.29 2.23 0.00 73 G 8.80 3.89 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 0.00 0.00 0.00 74 L 7.23 4.23 0.00 1.65 1.53 0.91 0.92 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 75 P 0.00 4.58 0.00 1.94 1.94 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 76 C 8.45 5.68 0.00 2.94 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 77 S 8.08 4.97 0.00 3.94 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 0.00 78 I 8.22 4.67 0.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.57 0.57 0.00 0.00 79 I 8.80 4.62 1.88 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 1.14 1.21 1.00 0.00 0.00 80 R 8.58 4.86 0.00 1.73 1.72 0.00 3.14 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 81 D 8.15 4.81 0.00 2.91 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 82 A 8.75 4.24 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 83 G 8.20 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 *89 P 0.00 4.22 0.00 2.07 2.03 0.00 3.84 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 1.92 2.08 0.00 90 G 6.75 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.25 4.66 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 92 L 7.94 4.36 0.00 1.52 1.52 0.80 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 93 T 8.59 4.48 4.25 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 1.26 0.00 0.00 94 A 7.55 5.06 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 95 V 8.92 4.95 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 1.16 0.00 0.00 1.02 0.00 0.00 96 A 8.75 5.32 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 97 I 9.21 4.51 1.84 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 1.12 0.69 0.85 0.00 0.00 98 G 8.82 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 99 P 0.00 4.75 0.00 1.58 0.49 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.92 0.00 100 E 8.12 4.68 0.00 1.96 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 2.12 2.25 0.00 101 K 8.34 3.98 0.00 1.71 1.99 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.44 7.81 102 D 9.00 4.33 0.00 2.78 2.73 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 0.00 103 E 8.23 3.95 0.00 2.15 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 2.37 2.33 0.00 104 K 7.98 3.92 0.00 1.78 1.88 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.76 7.81 105 I 7.87 3.82 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.64 0.89 0.00 0.00 106 D 8.43 4.44 0.00 2.66 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 0.00 107 K 7.50 3.69 0.00 1.76 1.90 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.74 7.81 108 I 7.54 4.24 1.99 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 1.69 0.54 0.92 0.00 0.00 109 T 8.16 4.35 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 1.20 0.00 0.00 110 G 8.48 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 0.00 111 H 8.05 4.45 0.00 3.26 3.46 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.98 4.15 0.00 1.49 1.59 0.88 -0.24 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 0.00 113 K 8.55 4.34 0.00 1.76 1.72 0.00 1.55 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.54 7.81 114 L 8.26 4.65 0.00 1.53 1.59 0.93 1.01 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 0.00 115 L 8.42 4.11 0.00 1.60 1.55 0.93 0.78 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 * Residues marked with a * may have inaccurate shift predictions.