NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2604 8.1693 120.6222 54.6973 43.2937 175.3307 3 D 4.5545 8.0751 119.3682 50.7479 40.5805 174.1543 4 Q 4.3931 8.7860 125.8579 55.7108 28.3992 175.3585 5 Q 4.7664 7.9062 132.1461 55.8311 31.7105 175.9504 6 T 3.8988 8.3114 115.1635 66.4193 68.6032 176.9771 7 I 3.5699 7.6467 121.1871 64.6592 37.1479 177.9888 8 N 4.3353 8.0882 116.5097 56.4669 38.4872 177.4230 9 I 3.7960 7.8076 121.2029 64.0870 37.1333 178.5483 10 I 3.1653 7.8991 121.1660 64.1713 36.7017 178.3903 11 K 3.9243 7.7286 117.5576 59.6617 32.0111 178.8806 12 A 4.1777 7.8726 119.8082 54.8576 18.5366 178.9292 13 T 4.4260 7.9961 106.5765 62.6439 69.6357 177.1860 14 V 3.8115 8.1078 122.9634 64.7638 31.1406 176.5533 15 P 4.2155 0.0000 0.0000 65.1818 31.0510 178.4957 16 V 3.5726 7.7005 115.0877 66.1444 31.4069 177.3266 17 L 4.0275 8.0743 118.7473 57.8399 41.4474 179.5236 18 K 3.9501 8.6558 119.6513 59.3783 31.8572 178.1430 19 E 3.9116 7.9719 118.6851 59.4532 29.7432 177.7298 20 H 4.8870 7.6735 113.0042 55.5934 28.9224 177.0492 21 G 3.8864 7.9303 110.3285 48.3013 0.0000 175.8247 22 V 3.5817 7.9228 120.5852 66.2429 31.3584 178.0571 23 T 3.9819 7.7826 115.6812 66.0906 68.3484 176.5904 24 I 3.6820 7.8680 121.6362 64.6320 37.1060 178.2497 25 T 4.0263 8.4389 117.1333 67.1935 68.2242 176.6031 26 T 4.0075 8.0669 111.2525 65.3500 68.6955 176.5800 27 T 3.9623 8.1805 118.8487 65.9762 68.3165 176.2959 28 F 4.0846 8.7561 122.8997 61.5158 39.4411 176.6569 29 Y 3.2982 8.0474 116.0503 60.7361 37.6596 178.3287 30 K 3.8842 7.9736 120.4429 60.1100 32.2226 178.3873 31 N 4.2577 7.7831 116.3599 55.9777 38.3923 177.0139 32 L 3.5394 7.3824 122.0167 58.2402 41.8064 179.1849 33 F 4.3471 7.5503 116.6922 60.5054 38.8802 177.3157 34 A 4.1014 8.2020 120.3637 55.1659 18.3445 179.6093 35 K 4.1275 8.0763 116.3108 58.2299 33.1952 177.3350 36 H 4.8151 8.0026 116.1232 52.1084 29.8714 171.8534 37 P 4.3450 0.0000 0.0000 65.4753 31.2023 178.1885 38 E 4.0803 8.3298 116.0998 58.8233 29.6681 178.4463 39 V 4.1866 7.6120 111.8996 61.8980 31.9644 178.0363 40 R 4.3843 8.1254 118.9822 58.8589 29.6624 177.0068 41 P 4.3782 0.0000 0.0000 65.2817 31.3881 178.2503 42 L 4.0857 7.8222 117.3436 58.1546 41.8589 176.7390 43 F 4.7769 7.8743 117.1558 56.1440 41.7808 174.6799 *53 Q 3.4477 8.2602 117.7916 55.0258 29.2989 174.8132 54 P 4.2428 0.0000 0.0000 63.1909 31.4871 177.7214 55 K 3.9507 8.7626 123.1169 58.8600 32.3009 177.6873 56 A 4.5499 7.9808 120.5955 52.0756 19.2236 178.5006 57 L 3.9440 7.9849 121.7784 59.0475 42.0352 179.1621 58 A 3.9159 7.8603 120.1978 55.1167 18.3116 179.4021 59 M 4.0506 7.9391 116.8953 58.5715 32.0934 178.7604 60 T 4.1688 8.1857 116.2148 66.6788 68.6987 176.5372 61 V 3.6968 7.6176 119.4008 66.2369 31.6879 177.8358 62 L 4.1839 8.1117 118.3172 57.9228 41.2551 179.2987 63 A 4.0419 8.8396 120.3870 55.2415 18.5851 179.3187 64 A 4.1032 8.3482 119.0734 55.3993 18.3343 179.6688 65 A 3.9854 8.4106 118.3526 55.1745 18.3882 179.3563 66 Q 4.1524 7.7393 117.2365 59.3954 29.4150 178.2709 67 N 4.8135 7.9582 116.5154 53.6054 39.4643 177.1758 68 I 3.6941 7.7405 122.3201 63.4090 38.3062 176.2798 69 E 4.2537 7.9992 117.6783 57.6672 30.5109 175.8734 70 N 5.0144 8.1548 117.9253 50.8364 39.2662 174.9838 71 L 3.9310 7.9243 121.0222 57.7601 42.1248 177.6853 72 P 4.1817 0.0000 0.0000 65.1505 30.9838 178.0081 73 A 4.0203 7.9417 119.7923 55.0960 18.5035 178.9310 74 I 3.9871 7.8614 109.6685 61.8383 38.0786 177.7366 75 L 3.8215 7.6312 122.1672 57.9301 41.2872 177.5380 76 P 4.2733 0.0000 0.0000 65.3253 31.5541 178.3691 77 A 4.0839 7.8345 119.0720 55.3091 18.5640 179.3469 78 V 3.2491 7.7129 116.7408 66.3199 31.4217 178.2001 79 K 3.8922 8.3924 119.4135 59.2134 31.6878 178.8395 80 K 4.0773 8.0397 120.0848 59.2617 32.0172 178.9273 81 I 3.6080 7.8020 119.4369 64.4056 37.2009 177.7263 82 A 4.3942 7.9528 122.9082 54.9433 18.1109 179.8415 83 V 3.5421 7.4192 114.9427 65.9687 31.6266 178.4561 84 K 3.9629 7.5527 117.8655 59.7660 31.8946 178.8887 85 H 4.2236 8.4629 116.6663 59.4261 28.5511 177.7428 86 C 4.2001 8.4579 119.9867 62.2494 27.6315 176.1702 87 Q 4.0531 7.9957 118.6217 57.9913 28.3729 177.4353 88 A 4.4956 7.7747 119.5811 51.1964 19.5250 177.0538 89 G 3.8733 7.8020 105.2155 46.1993 0.0000 174.4542 90 V 3.7282 8.0414 119.0198 62.3934 32.3550 174.9737 91 A 4.9669 8.8601 127.8691 49.6327 22.1509 176.6871 92 A 4.3419 8.9247 121.7509 55.6453 18.0702 180.3401 93 A 4.0634 8.0155 117.6769 55.5397 18.6012 179.0499 94 H 4.4048 8.6847 115.1651 58.5943 28.7678 177.1524 95 Y 3.9239 8.0203 119.1508 61.0041 37.7948 177.2720 96 P 4.4553 0.0000 0.0000 65.3914 31.4050 178.8976 97 I 3.6057 7.5594 118.9378 64.2120 37.0364 178.1834 98 V 3.7280 7.8801 118.7824 66.3592 31.2331 178.1438 99 G 2.5119 7.7523 104.9312 47.2046 0.0000 175.4008 100 Q 3.9070 7.9195 121.7594 59.1857 29.2456 178.3021 101 E 3.9707 8.5530 120.0542 59.1151 29.3698 179.1842 102 L 3.8427 8.5759 120.8584 58.1547 42.0308 179.0972 103 L 4.1459 7.9928 118.9034 57.2967 41.3883 179.8587 104 G 3.5125 7.8910 105.9588 47.5067 0.0000 175.6583 105 A 3.9507 7.8621 123.1960 55.0032 18.4483 179.4168 106 I 3.4420 7.8607 118.7560 64.7363 36.9489 178.2481 107 K 4.0509 7.8020 119.5224 58.6325 31.9500 177.9030 108 E 4.0695 8.1344 118.1100 57.6338 29.6699 177.5139 109 V 4.0947 7.1701 116.4154 64.5430 32.8965 177.1588 110 L 4.0231 7.6529 118.2875 55.5169 42.0474 178.2808 111 G 4.0484 8.3990 106.3652 45.9474 0.0000 176.7427 112 D 4.4767 8.7220 124.5177 55.6535 40.9354 177.0653 113 A 4.0511 7.9340 121.3558 54.7124 19.1996 178.4030 114 A 4.4044 7.3127 120.2898 52.3278 16.6207 178.0093 115 T 4.1082 7.6386 113.6565 61.2139 70.4962 176.0900 116 D 4.4354 8.8640 125.0822 57.9756 40.9349 179.5379 117 D 4.2400 8.1637 118.6968 57.1757 40.7473 178.8248 118 I 3.8215 8.1358 120.9538 64.3275 37.0824 178.2246 119 L 4.1143 7.9940 119.2377 58.1676 41.5847 178.8634 120 D 4.4342 8.8503 118.9494 57.7776 40.7319 179.2725 121 A 3.9253 8.4231 121.3080 54.9781 18.3006 179.8007 122 W 3.6585 8.5060 117.8033 59.2767 28.9741 179.0611 123 G 3.6946 8.5013 106.4123 47.8693 0.0000 175.8995 124 K 3.9809 8.2297 121.5945 58.7442 32.1040 179.0877 125 A 3.8809 8.0727 121.2227 55.4893 17.6628 179.0693 126 Y 4.1346 8.5019 118.0799 60.7336 38.9200 178.0417 127 G 3.8354 8.0251 106.3041 48.1718 0.0000 175.3863 128 V 3.5771 7.7346 120.2352 65.6686 31.6389 177.9682 129 I 3.8572 7.7050 119.0305 64.1007 36.8805 178.0330 130 A 3.8456 8.7719 122.1441 55.5250 18.1848 179.3194 131 D 4.0902 7.9766 117.0053 57.5911 40.8753 179.5714 132 V 3.5649 7.5275 118.9252 65.7164 31.4322 178.2274 133 F 3.8017 7.9057 117.0532 60.5808 38.8745 177.4066 134 I 3.5301 7.9853 119.8632 64.5174 36.7710 178.5738 135 Q 3.9248 8.4562 119.0161 58.9648 28.5238 178.7998 136 V 3.5365 7.5386 118.9780 66.0623 31.3714 177.9823 137 E 3.7818 8.3964 118.0886 59.3277 29.2811 178.9968 138 A 4.2447 8.3800 121.1798 55.5753 18.2980 179.4420 139 D 4.3243 8.5062 117.6159 57.1663 40.6396 179.0277 140 L 3.9628 7.9050 119.5044 57.7180 41.6860 178.6796 141 Y 4.3988 8.6508 117.5631 61.1805 37.6696 178.4222 142 A 4.0892 8.1441 120.4009 55.3556 18.6487 178.9878 143 Q 4.1538 8.3622 114.7874 57.2325 29.1556 176.6075 144 A 4.8612 7.9079 120.9475 52.6234 20.7064 176.8997 145 V 4.0151 7.7845 126.3625 63.4173 31.7595 175.1947 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 L 8.17 4.26 0.00 1.58 1.64 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.08 4.55 0.00 2.87 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 4 Q 8.79 4.39 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 5 Q 7.91 4.77 0.00 2.08 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.43 6.70 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 6 T 8.31 3.90 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 1.08 0.00 0.00 7 I 7.65 3.57 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 0.89 0.00 0.00 8 N 8.09 4.34 0.00 2.74 2.85 0.00 0.00 7.10 7.38 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 9 I 7.81 3.80 1.91 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 1.53 1.14 0.94 0.00 0.00 10 I 7.90 3.17 1.73 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.46 0.00 0.00 11 K 7.73 3.92 0.00 1.73 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.53 7.81 12 A 7.87 4.18 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 13 T 8.00 4.43 4.47 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 1.35 0.00 0.00 14 V 8.11 3.81 2.42 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 1.03 0.00 0.00 1.18 0.00 0.00 15 P 0.00 4.22 0.00 2.21 2.16 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 16 V 7.70 3.57 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 0.92 0.00 0.00 1.00 0.00 0.00 17 L 8.07 4.03 0.00 1.65 1.39 -0.51 0.87 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 18 K 8.66 3.95 0.00 1.90 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.61 7.81 19 E 7.97 3.91 0.00 1.93 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 2.13 2.08 0.00 20 H 7.67 4.89 0.00 3.19 3.20 0.00 5.71 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 21 G 7.93 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 22 V 7.92 3.58 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 1.08 0.00 0.00 0.94 0.00 0.00 23 T 7.78 3.98 4.35 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 1.21 0.00 0.00 24 I 7.87 3.68 1.98 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.80 0.00 0.00 25 T 8.44 4.03 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 26 T 8.07 4.01 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 1.25 0.00 0.00 27 T 8.18 3.96 4.45 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 1.20 0.00 0.00 28 F 8.76 4.08 0.00 2.94 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 29 Y 8.05 3.30 0.00 3.07 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 30 K 7.97 3.88 0.00 1.98 2.02 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.52 7.81 31 N 7.78 4.26 0.00 2.81 2.87 0.00 0.00 6.73 6.83 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 32 L 7.38 3.54 0.00 0.36 0.69 0.53 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.55 4.35 0.00 2.99 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 34 A 8.20 4.10 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 35 K 8.08 4.13 0.00 1.53 1.63 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.62 7.81 36 H 8.00 4.82 0.00 3.20 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.34 0.00 2.28 2.33 0.00 3.77 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 2.08 2.02 0.00 38 E 8.33 4.08 0.00 2.19 2.19 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 2.35 2.42 0.00 39 V 7.61 4.19 2.22 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 0.92 0.00 0.00 1.15 0.00 0.00 40 R 8.13 4.38 0.00 1.96 2.00 0.00 3.22 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 41 P 0.00 4.38 0.00 2.06 2.15 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 42 L 7.82 4.09 0.00 1.59 1.44 0.75 0.91 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 43 F 7.87 4.78 0.00 3.31 3.14 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 *53 Q 8.26 3.45 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 54 P 0.00 4.24 0.00 2.45 2.43 0.00 4.09 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 55 K 8.76 3.95 0.00 1.79 1.95 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.37 7.81 56 A 7.98 4.55 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 57 L 7.98 3.94 0.00 1.82 1.72 -0.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.86 3.92 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 59 M 7.94 4.05 0.00 2.06 2.15 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 2.71 2.60 0.00 60 T 8.19 4.17 4.48 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 1.36 0.00 0.00 61 V 7.62 3.70 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 1.27 0.00 0.00 1.11 0.00 0.00 62 L 8.11 4.18 0.00 1.94 1.78 0.86 0.75 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 A 8.84 4.04 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 A 8.35 4.10 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 65 A 8.41 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.15 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.56 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 67 N 7.96 4.81 0.00 3.02 2.95 0.00 0.00 6.75 7.36 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 68 I 7.74 3.69 1.91 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 1.31 0.55 0.87 0.00 0.00 69 E 8.00 4.25 0.00 1.98 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 2.26 2.26 0.00 70 N 8.15 5.01 0.00 2.71 2.62 0.00 0.00 7.02 7.13 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 71 L 7.92 3.93 0.00 1.69 1.68 0.89 1.04 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 72 P 0.00 4.18 0.00 2.12 2.06 0.00 3.58 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 2.08 2.11 0.00 73 A 7.94 4.02 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 74 I 7.86 3.99 1.87 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 1.78 0.69 0.92 0.00 0.00 75 L 7.63 3.82 0.00 1.67 1.71 0.86 0.91 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 76 P 0.00 4.27 0.00 2.00 2.09 0.00 3.76 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 2.01 2.13 0.00 77 A 7.83 4.08 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 78 V 7.71 3.25 1.91 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 0.22 0.00 0.00 0.49 0.00 0.00 79 K 8.39 3.89 0.00 2.13 1.77 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.43 7.81 80 K 8.04 4.08 0.00 1.88 1.79 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 81 I 7.80 3.61 2.23 0.00 0.00 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 1.65 0.86 0.96 0.00 0.00 82 A 7.95 4.39 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 83 V 7.42 3.54 2.27 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 1.02 0.00 0.00 0.96 0.00 0.00 84 K 7.55 3.96 0.00 2.15 1.87 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.54 7.81 85 H 8.46 4.22 0.00 3.43 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.46 4.20 0.00 2.79 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 87 Q 8.00 4.05 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 88 A 7.77 4.50 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 89 G 7.80 3.87 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 90 V 8.04 3.73 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 0.73 0.00 0.00 0.74 0.00 0.00 91 A 8.86 4.97 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 92 A 8.92 4.34 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.06 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 94 H 8.68 4.40 0.00 3.24 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.02 3.92 0.00 3.42 3.23 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 96 P 0.00 4.46 0.00 2.21 2.18 0.00 3.76 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 97 I 7.56 3.61 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 1.24 0.54 0.46 0.00 0.00 98 V 7.88 3.73 2.27 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 1.02 0.00 0.00 0.93 0.00 0.00 99 G 7.75 2.51 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 0.00 0.00 0.00 0.00 100 Q 7.92 3.91 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 101 E 8.55 3.97 0.00 2.07 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 2.40 2.24 0.00 102 L 8.58 3.84 0.00 1.06 1.45 0.64 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.99 4.15 0.00 1.83 1.69 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.89 3.51 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 0.00 0.00 0.00 0.00 105 A 7.86 3.95 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 0.00 106 I 7.86 3.44 1.88 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.34 0.70 0.00 0.00 107 K 7.80 4.05 0.00 1.76 1.76 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 108 E 8.13 4.07 0.00 2.00 2.22 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 2.29 2.28 0.00 109 V 7.17 4.09 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 0.75 0.00 0.00 0.90 0.00 0.00 110 L 7.65 4.02 0.00 1.67 1.74 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.40 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 0.00 112 D 8.72 4.48 0.00 2.68 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 0.00 113 A 7.93 4.05 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 0.00 114 A 7.31 4.40 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 0.00 115 T 7.64 4.11 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 1.28 0.00 0.00 116 D 8.86 4.44 0.00 2.80 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 0.00 117 D 8.16 4.24 0.00 2.71 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 0.00 118 I 8.14 3.82 2.19 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 1.65 0.74 1.15 0.00 0.00 119 L 7.99 4.11 0.00 1.91 1.77 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.85 4.43 0.00 2.77 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 0.00 121 A 8.42 3.93 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 0.00 122 W 8.51 3.66 0.00 3.73 3.38 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 0.00 123 G 8.50 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.98 0.00 1.77 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.74 7.81 125 A 8.07 3.88 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 0.00 126 Y 8.50 4.13 0.00 3.27 3.26 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 0.00 127 G 8.03 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 0.00 0.00 0.00 128 V 7.73 3.58 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 0.83 0.00 0.00 0.93 0.00 0.00 129 I 7.71 3.86 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 1.06 0.00 0.00 130 A 8.77 3.85 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 0.00 131 D 7.98 4.09 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.56 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 0.79 0.00 0.00 0.86 0.00 0.00 133 F 7.91 3.80 0.00 3.11 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 0.00 134 I 7.99 3.53 1.68 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.15 0.86 0.00 0.00 135 Q 8.46 3.92 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 136 V 7.54 3.54 2.02 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 1.03 0.00 0.00 0.86 0.00 0.00 137 E 8.40 3.78 0.00 2.36 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 2.31 2.40 0.00 138 A 8.38 4.24 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 0.00 0.00 139 D 8.51 4.32 0.00 2.84 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 0.00 140 L 7.91 3.96 0.00 1.56 1.52 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.65 4.40 0.00 3.18 2.94 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 0.00 142 A 8.14 4.09 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 0.00 143 Q 8.36 4.15 0.00 2.05 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.39 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 144 A 7.91 4.86 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.78 4.02 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 0.77 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.