NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3041 0.0000 0.0000 61.8944 32.6811 175.4485 3 V 3.5360 7.9531 120.3843 62.5544 32.3499 173.3291 *5 Q 4.3352 8.0681 119.3981 55.9335 31.0096 174.3442 6 S 5.3972 8.3696 114.5473 57.2214 66.7176 173.0447 7 R 4.7644 9.4085 120.6216 54.8881 33.7319 173.8753 8 I 4.8925 8.5591 126.7263 60.1290 38.2917 175.0251 9 I 4.4814 9.0245 130.0307 60.6714 38.4306 175.0427 10 H 5.9562 8.8272 120.6959 55.3292 31.4247 172.1160 11 L 4.5962 8.3354 118.4837 55.1784 43.9598 173.7891 12 S 5.2114 8.5212 115.3515 57.2751 64.6050 174.0493 13 V 4.4571 8.9142 123.5577 60.5037 34.2342 175.9353 14 E 4.7611 8.8607 129.4761 54.9749 28.3548 176.0725 15 K 4.6775 7.2213 117.8449 52.9235 37.2777 174.8501 16 P 4.3971 0.0000 0.0000 62.5100 33.0461 177.2181 17 W 4.6462 9.4273 132.3831 60.1826 30.4395 178.2360 18 A 3.0691 7.7181 119.7354 54.8580 17.9333 179.1118 19 E 3.9131 7.9693 117.3553 59.1501 29.6652 179.0855 20 V 3.5960 7.6928 118.1994 65.9097 31.5293 177.4126 21 Y 4.0136 7.8991 119.3292 60.6811 38.3973 177.4881 22 D 4.1911 8.1323 119.0241 57.4877 40.8864 178.5895 23 F 4.1202 8.0005 120.0308 61.2766 39.2519 177.0672 24 A 3.7142 8.1545 120.0651 54.3171 18.4766 178.2242 25 A 3.8433 7.6056 117.7622 53.4614 18.9923 177.0173 26 N 4.2450 7.1643 115.0923 52.2124 38.2663 173.8114 27 P 3.3631 0.0000 0.0000 64.8942 31.2350 178.3577 28 G 3.4792 7.1282 105.7163 47.2782 0.0000 173.7113 29 N 4.4022 7.5085 120.9239 51.6595 37.1949 174.4100 *31 P 4.1952 0.0000 0.0000 62.0872 33.9061 178.6809 32 R 4.2985 7.9955 117.1511 57.4044 30.2746 177.2846 33 W 4.7905 7.7850 112.0078 55.6359 30.1099 174.3217 34 A 4.3799 6.9159 121.9731 50.0787 17.9336 176.9969 35 A 4.1023 9.0326 126.8501 56.0935 18.5940 180.0728 36 G 3.6632 7.9692 103.1916 47.6355 0.0000 173.9393 37 L 4.4846 8.1295 118.6457 53.9696 42.5355 177.7902 38 A 4.1231 7.6554 122.6633 55.2849 18.3343 179.6868 39 G 3.6091 7.9912 103.7318 47.6437 0.0000 172.7657 40 G 4.2277 6.9826 104.2194 43.0361 0.0000 172.7014 41 L 4.9468 8.0660 122.6551 53.2918 44.8019 175.1886 42 E 5.0077 9.1084 125.6723 54.3425 32.3519 175.4468 43 A 3.2048 8.3752 125.4273 51.8436 18.9869 177.8469 44 D 4.2558 9.2029 121.4738 54.0256 42.8801 173.9424 45 G 3.9975 8.9495 115.3446 45.9195 0.0000 170.3546 46 E 4.1762 8.1190 118.5577 55.9541 29.2156 174.0376 47 D 5.4558 7.2865 116.8644 51.2495 43.0657 175.0135 48 W 5.5137 8.8523 116.2911 55.3687 33.6023 174.5089 49 I 5.0212 9.0959 122.5062 59.2024 40.9798 173.9014 50 A 4.8071 9.2230 131.4379 50.3666 20.7194 175.3708 51 K 4.4670 8.4781 121.9879 56.3721 33.3414 176.5173 52 G 3.9801 9.6784 111.7715 44.8415 0.0000 175.2785 53 G 4.0103 8.2723 106.5750 43.7712 0.0000 173.0015 54 P 4.1608 0.0000 0.0000 64.0674 31.6341 175.8017 55 L 4.3296 7.6491 120.7450 53.4528 41.3481 177.9165 56 G 3.7107 8.6126 112.9427 47.1459 0.0000 172.1698 57 E 4.8740 7.7584 119.6848 55.4867 32.2630 174.6296 58 V 4.6963 8.4909 117.8878 59.2656 35.6547 174.7033 59 R 5.0723 8.3863 124.3524 54.6615 32.8309 174.8211 60 V 4.8208 9.1764 125.1025 61.1235 34.8766 173.6646 61 N 5.3286 8.9804 125.1622 51.6893 40.7872 173.8391 62 F 5.2266 9.1328 122.3595 55.7594 40.8787 175.8495 63 A 4.4342 9.0245 124.4608 51.6624 18.8799 176.0313 64 P 4.6555 0.0000 0.0000 62.1685 32.5129 176.0496 65 H 4.4026 8.7303 116.8126 56.4234 29.0710 174.5903 66 N 5.0596 8.8467 119.6497 52.4107 40.2414 173.7414 67 E 4.4226 8.4160 115.4050 56.4030 29.7320 176.7928 68 F 4.7367 8.5183 115.6547 56.8596 39.6185 176.3580 69 G 4.3380 7.9739 107.7201 46.0779 0.0000 173.2151 70 V 4.4062 8.1105 119.3078 62.1605 32.0511 175.8525 71 I 4.9614 8.9766 130.3198 60.7617 38.0047 175.7028 72 D 4.7589 8.5780 121.1782 55.5177 42.0452 175.7097 73 H 5.2568 8.4692 115.7942 54.1707 32.6569 172.0504 74 V 4.7271 8.6846 120.5006 61.3382 33.7703 174.3694 75 V 4.5391 8.8699 128.7275 61.9076 33.3136 174.4839 76 T 4.9428 8.8137 125.6674 61.9088 69.8441 174.9177 77 L 4.2380 9.1212 127.5377 53.7019 42.3798 176.5884 78 P 4.3212 0.0000 0.0000 65.6334 31.2736 177.1775 79 D 4.5307 7.9741 114.8238 53.4094 39.8544 176.9992 80 G 3.9933 8.3248 109.3353 44.9993 0.0000 173.8302 81 L 4.1334 8.0351 122.9092 55.0706 43.1748 175.6468 82 K 4.9749 8.6565 125.7130 54.9491 33.9081 175.7393 83 V 4.3751 8.9272 125.7238 61.2097 33.9332 173.4672 84 Y 4.7657 8.7099 129.5068 56.5626 40.0828 174.1823 85 N 4.2450 8.3545 124.8703 50.8473 40.8475 173.7408 86 A 4.1803 7.3238 126.7327 51.4437 19.9882 175.8500 87 L 5.0472 9.0643 124.2560 53.7097 45.8914 174.7847 88 R 5.2964 9.1338 125.2501 55.0946 34.6561 173.5003 89 V 5.1008 9.0877 124.0154 61.4419 34.5046 174.4514 90 T 4.8269 8.8273 117.0820 58.9358 72.6067 171.5165 91 P 4.6864 0.0000 0.0000 62.8978 32.3221 176.3181 92 N 4.8066 9.3666 122.9586 52.1549 40.1361 176.0667 93 G 3.8088 7.9678 116.8991 46.5131 0.0000 173.9309 94 S 4.4508 9.0592 119.7723 58.7819 64.1174 173.9179 95 G 4.5726 7.9704 110.5140 45.4255 0.0000 172.0914 96 T 5.3018 8.6625 116.4868 61.9633 73.7062 172.7058 97 E 4.7916 9.3178 126.5659 54.6989 31.8115 174.5232 98 V 5.0106 8.8051 127.9253 61.4468 33.7446 174.6537 99 S 5.3970 9.3129 121.7898 56.6439 67.0211 172.5611 100 F 5.1680 9.7666 124.2655 56.8754 42.2661 173.8159 101 T 4.6712 8.3615 124.2792 62.5452 68.7817 174.1567 102 L 4.6087 9.2576 130.9288 53.9958 43.4415 175.1296 103 L 5.0994 8.5113 126.6502 53.0906 43.3833 176.3092 104 R 4.3800 8.9941 125.6309 56.1547 30.2514 176.4977 105 L 4.2517 8.6945 126.7044 54.0294 42.4990 176.5701 106 E 3.7822 8.6643 122.0786 57.8396 29.8285 174.6807 107 G 3.5479 8.4662 118.0536 45.9565 0.0000 173.2415 *109 T 4.1545 7.6189 115.6003 61.1782 71.4657 174.2626 110 D 4.4120 8.5328 121.4309 57.9287 40.8947 178.9827 111 E 4.0241 8.2187 118.9462 59.2619 29.6301 178.4584 112 D 4.3801 8.2288 119.1135 57.3353 40.8921 178.4722 113 F 4.1772 8.3005 121.1604 61.4094 39.3947 177.0795 114 E 3.9829 8.4974 118.3009 59.2598 29.2485 179.3402 115 Q 3.9357 8.1824 118.2232 58.8515 28.8163 177.9931 116 D 4.2159 7.9559 118.8273 57.5604 41.2105 178.4474 117 A 3.8127 7.8194 121.2759 54.9560 18.4326 179.6885 118 S 4.1090 8.2297 112.5485 61.0595 63.1907 176.6865 119 A 3.9225 7.9557 124.7262 55.0815 18.0334 179.6578 120 I 3.3985 7.6389 118.3230 64.6358 37.0171 178.6623 121 T 3.8005 7.7636 116.3647 66.7695 68.0689 176.4913 122 A 4.0449 7.6688 121.0194 55.0883 18.4252 179.1250 123 D 4.8297 7.7804 118.1439 57.1372 41.1258 178.6995 124 L 4.2654 8.3578 119.8186 57.5482 41.5474 179.9507 125 E 4.1452 8.4016 116.4498 56.7125 29.2994 178.7414 *127 L 4.0091 7.8507 122.1114 55.0639 43.9768 178.2834 128 K 3.6812 8.1559 119.3008 59.8308 31.7359 178.2753 129 S 4.0802 7.8387 113.8516 61.8633 62.7290 176.5809 130 L 4.0306 7.8237 120.5111 58.0208 41.1866 179.6470 131 L 3.7702 7.3743 117.2525 57.3387 41.6506 178.5982 132 E 4.1874 7.9489 115.4912 56.9460 29.7535 177.0810 133 A 4.3267 7.3597 125.2147 52.2116 19.1137 176.8170 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 4.30 0.00 2.05 2.05 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 2.07 0.00 3 V 7.95 3.54 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 0.76 0.00 0.00 0.93 0.00 0.00 *5 Q 8.07 4.34 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 6 S 8.37 5.40 0.00 3.98 3.84 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 7 R 9.41 4.76 0.00 2.22 1.93 0.00 3.13 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 8 I 8.56 4.89 1.94 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 1.40 0.78 0.97 0.00 0.00 9 I 9.02 4.48 1.96 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 1.26 0.79 0.91 0.00 0.00 10 H 8.83 5.96 0.00 3.27 3.28 0.00 5.35 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.34 4.60 0.00 1.73 1.75 0.91 0.57 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 12 S 8.52 5.21 0.00 3.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.91 4.46 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 0.92 0.00 0.00 0.89 0.00 0.00 14 E 8.86 4.76 0.00 2.05 1.90 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 2.29 2.37 0.00 15 K 7.22 4.68 0.00 1.68 1.60 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 16 P 0.00 4.40 0.00 2.17 2.04 0.00 3.79 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 2.12 2.17 0.00 17 W 9.43 4.65 0.00 3.37 3.29 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 18 A 7.72 3.07 0.95 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 19 E 7.97 3.91 0.00 2.01 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 0.00 2.33 2.33 0.00 20 V 7.69 3.60 2.13 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 1.01 0.00 0.00 0.97 0.00 0.00 21 Y 7.90 4.01 0.00 2.91 2.80 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 22 D 8.13 4.19 0.00 2.76 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 23 F 8.00 4.12 0.00 3.10 2.95 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 24 A 8.15 3.71 1.18 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 0.00 0.00 0.00 0.00 0.00 25 A 7.61 3.84 0.47 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 26 N 7.16 4.24 0.00 2.46 2.53 0.00 0.00 7.03 7.59 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 27 P 0.00 3.36 0.00 0.49 0.49 0.00 3.29 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.00 28 G 7.13 3.48 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 0.00 29 N 7.51 4.40 0.00 2.50 2.02 0.00 0.00 6.82 7.58 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 *31 P 0.00 4.20 0.00 2.00 2.25 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 32 R 8.00 4.30 0.00 2.25 2.22 0.00 3.18 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 33 W 7.78 4.79 0.00 3.58 3.33 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 34 A 6.92 4.38 0.61 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 35 A 9.03 4.10 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 36 G 7.97 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 0.00 0.00 0.00 37 L 8.13 4.48 0.00 1.57 1.54 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.66 4.12 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 39 G 7.99 3.61 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 0.00 40 G 6.98 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 0.00 0.00 0.00 0.00 41 L 8.07 4.95 0.00 1.55 1.47 1.04 0.60 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 42 E 9.11 5.01 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 43 A 8.38 3.20 0.34 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 44 D 9.20 4.26 0.00 2.60 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.18 0.00 2.13 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 0.00 2.19 2.35 0.00 47 D 7.29 5.46 0.00 3.06 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 48 W 8.85 5.51 0.00 3.59 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 49 I 9.10 5.02 2.03 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 1.21 1.67 0.94 0.00 0.00 50 A 9.22 4.81 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 51 K 8.48 4.47 0.00 1.66 1.76 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 52 G 9.68 3.98 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 0.00 0.00 0.00 53 G 8.27 4.01 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 0.00 0.00 0.00 54 P 0.00 4.16 0.00 2.18 2.07 0.00 3.89 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 1.98 1.95 0.00 55 L 7.65 4.33 0.00 1.89 1.86 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.61 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 57 E 7.76 4.87 0.00 1.79 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 2.25 2.44 0.00 58 V 8.49 4.70 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 0.68 0.00 0.00 0.93 0.00 0.00 59 R 8.39 5.07 0.00 1.85 1.77 0.00 3.05 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 60 V 9.18 4.82 2.01 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 0.33 0.00 0.00 0.88 0.00 0.00 61 N 8.98 5.33 0.00 2.75 2.77 0.00 0.00 6.62 8.68 0.00 0.00 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 9.13 5.23 0.00 3.03 3.06 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 63 A 9.02 4.43 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 64 P 0.00 4.66 0.00 2.31 2.17 0.00 3.91 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 2.09 2.08 0.00 65 H 8.73 4.40 0.00 3.21 3.43 0.00 5.90 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.85 5.06 0.00 3.02 2.93 0.00 0.00 6.88 7.62 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 67 E 8.42 4.42 0.00 1.63 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 2.15 2.20 0.00 68 F 8.52 4.74 0.00 3.18 3.04 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 69 G 7.97 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 0.00 0.00 0.00 70 V 8.11 4.41 2.38 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 1.03 0.00 0.00 1.06 0.00 0.00 71 I 8.98 4.96 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 1.12 0.00 0.00 72 D 8.58 4.76 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.47 5.26 0.00 2.63 2.69 0.00 5.23 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.68 4.73 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 1.04 0.00 0.00 1.07 0.00 0.00 75 V 8.87 4.54 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 0.93 0.00 0.00 0.94 0.00 0.00 76 T 8.81 4.94 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 1.22 0.00 0.00 77 L 9.12 4.24 0.00 1.89 1.67 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.32 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 79 D 7.97 4.53 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.32 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 81 L 8.04 4.13 0.00 1.81 1.69 0.94 0.85 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 82 K 8.66 4.97 0.00 1.69 1.75 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.43 7.81 83 V 8.93 4.38 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 0.95 0.00 0.00 0.96 0.00 0.00 84 Y 8.71 4.77 0.00 2.96 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 85 N 8.35 4.24 0.00 2.10 1.87 0.00 0.00 6.46 7.86 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 86 A 7.32 4.18 1.09 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 87 L 9.06 5.05 0.00 1.69 1.63 1.27 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 88 R 9.13 5.30 0.00 1.96 1.75 0.00 3.14 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 89 V 9.09 5.10 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 1.28 0.00 0.00 1.05 0.00 0.00 90 T 8.83 4.83 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 1.20 0.00 0.00 91 P 0.00 4.69 0.00 1.83 1.92 0.00 3.31 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.41 0.00 92 N 9.37 4.81 0.00 2.63 2.67 0.00 0.00 6.86 8.29 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 93 G 7.97 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 94 S 9.06 4.45 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.66 5.30 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 1.43 0.00 0.00 97 E 9.32 4.79 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 98 V 8.81 5.01 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 0.95 0.00 0.00 0.93 0.00 0.00 99 S 9.31 5.40 0.00 3.94 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 0.00 100 F 9.77 5.17 0.00 3.18 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 0.00 101 T 8.36 4.67 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 1.23 0.00 0.00 102 L 9.26 4.61 0.00 1.97 1.80 1.07 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.51 5.10 0.00 1.65 1.66 1.03 1.03 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 0.00 104 R 8.99 4.38 0.00 1.52 1.76 0.00 2.77 0.00 0.00 3.04 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 105 L 8.69 4.25 0.00 1.74 1.63 0.97 1.01 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 0.00 106 E 8.66 3.78 0.00 1.94 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 2.30 2.33 0.00 107 G 8.47 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 0.00 0.00 0.00 *109 T 7.62 4.15 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 1.23 0.00 0.00 110 D 8.53 4.41 0.00 2.73 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 0.00 111 E 8.22 4.02 0.00 2.06 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 2.40 2.42 0.00 112 D 8.23 4.38 0.00 2.99 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 0.00 113 F 8.30 4.18 0.00 3.15 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 0.00 114 E 8.50 3.98 0.00 2.08 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 0.00 2.68 2.56 0.00 115 Q 8.18 3.94 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 116 D 7.96 4.22 0.00 2.82 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 3.81 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.23 4.11 0.00 4.04 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 0.00 119 A 7.96 3.92 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 0.00 120 I 7.64 3.40 1.55 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.29 0.28 0.00 0.00 121 T 7.76 3.80 4.37 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 1.22 0.00 0.00 122 A 7.67 4.04 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 0.00 123 D 7.78 4.83 0.00 2.89 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 0.00 124 L 8.36 4.27 0.00 1.82 1.72 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.40 4.15 0.00 2.14 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 2.32 2.60 0.00 *127 L 7.85 4.01 0.00 1.21 1.66 0.12 -0.44 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 0.00 128 K 8.16 3.68 0.00 1.79 1.95 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.40 1.57 7.81 129 S 7.84 4.08 0.00 4.02 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 0.00 130 L 7.82 4.03 0.00 1.76 1.33 0.95 0.97 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 0.00 131 L 7.37 3.77 0.00 1.58 1.55 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.95 4.19 0.00 1.90 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 2.28 2.39 0.00 133 A 7.36 4.33 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 * Residues marked with a * may have inaccurate shift predictions.