NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.2958 8.1727 120.1333 55.9302 33.8066 176.2447 76 E 3.7487 8.7050 122.5367 59.2784 29.5123 177.7850 77 N 4.3785 8.9086 117.3430 56.0834 39.0493 176.7542 78 E 3.9774 8.0860 119.8422 59.2792 29.5714 179.1244 79 I 3.6951 7.9046 119.8948 64.4587 37.1614 178.4615 80 L 4.0017 8.0818 119.8244 57.9705 41.4120 179.9057 81 R 3.9456 8.2351 118.0561 58.8566 29.9576 179.1103 82 R 3.8445 8.1538 118.7958 59.3440 29.9193 178.1408 83 E 3.9050 8.2385 118.1576 59.1966 29.7133 178.1670 84 L 4.0744 7.8420 119.2081 58.1023 42.5819 178.1069 85 D 4.5167 8.2041 117.9169 57.3027 41.0133 180.0759 86 R 4.2630 8.0380 116.9118 56.3944 30.1757 178.0485 *88 R 4.3379 8.0241 119.1373 56.0158 32.1922 176.9574 89 V 3.8076 7.4089 110.9747 60.1409 32.0643 174.4078 90 P 4.3913 0.0000 0.0000 61.9141 31.8265 174.4890 91 P 4.5240 0.0000 0.0000 62.6881 32.2573 175.0329 92 L 4.8410 8.0107 118.4550 53.0635 43.8125 176.4791 93 I 4.0486 8.3986 124.3894 61.0698 38.6620 175.1241 94 V 4.5165 8.4532 126.8532 62.1541 33.1989 174.9261 95 G 4.5005 9.1265 113.8286 45.0972 0.0000 170.7557 96 T 5.1609 8.8277 115.8245 61.1696 71.9498 174.4090 97 V 3.8029 8.6599 127.0289 63.6891 32.0802 176.3962 98 V 3.8157 9.0244 128.8714 64.4816 32.2150 175.4426 99 D 4.5051 7.4475 116.2933 53.5712 44.3132 174.8917 100 K 4.5650 8.8156 123.7855 56.3719 32.8158 177.4146 101 V 4.3319 8.4127 115.0246 60.7610 33.3658 175.1347 102 G 3.9752 7.8558 107.7582 44.7650 0.0000 173.8797 103 E 3.7744 8.4131 119.1941 58.4161 30.1806 178.7198 104 R 4.8357 7.7002 116.1566 55.6945 31.2272 174.8217 105 K 5.2162 8.2920 117.4607 54.8840 36.5002 177.0847 106 V 4.8998 8.7523 116.9109 59.6273 36.6082 174.4466 107 V 4.6365 9.0149 124.0597 61.8353 33.1450 174.8378 108 V 4.8049 9.0251 127.7930 60.9583 34.9589 174.0587 109 K 4.6509 9.2758 129.5893 54.9566 33.2493 175.4518 110 S 4.8084 8.8776 124.0812 57.9738 63.1669 175.3128 111 S 4.2570 8.8102 121.3530 60.6159 62.8820 175.1972 112 T 4.0725 7.6591 110.4105 62.0460 68.5857 173.9583 113 G 3.8457 7.4978 114.4438 45.6015 0.0000 173.3985 114 P 4.3689 0.0000 0.0000 61.5907 32.5731 174.8401 115 S 5.2047 7.7233 113.9863 56.8217 65.3660 173.7492 116 F 4.9540 9.0887 120.7435 55.7073 43.7607 173.4794 117 L 5.0936 8.6923 122.5212 53.8657 43.2137 175.6929 118 V 4.6582 8.9699 119.2657 59.2995 36.2553 175.0373 119 N 5.0740 8.5884 118.7014 53.2338 40.2141 174.2654 120 V 4.5940 7.9556 121.0142 60.8036 33.3397 175.5020 121 S 4.1687 8.9059 123.2128 59.0081 62.7786 175.0737 122 H 3.9701 8.8432 122.7648 58.7946 28.5577 176.3801 123 F 4.5082 8.0523 115.7589 57.9351 39.0721 175.3749 124 V 4.2291 7.6002 121.3346 60.9165 32.9610 174.9888 125 N 4.6085 8.5205 124.9122 52.0353 38.4921 173.4185 126 P 4.0432 0.0000 0.0000 65.9153 31.5604 178.3872 127 D 4.4915 8.3479 116.3377 56.4639 40.8183 176.6255 128 D 4.7253 8.6257 118.5596 54.0347 40.9571 175.7764 129 L 4.6769 7.3855 119.5690 52.9644 43.6884 175.6540 130 A 4.5587 8.0802 123.6970 50.1865 22.0002 173.5960 131 P 4.5427 0.0000 0.0000 64.5910 31.6016 177.3587 132 G 3.9731 9.0246 112.4398 44.7240 0.0000 173.5607 133 K 4.1456 7.8920 122.4960 56.4555 33.4805 175.9661 134 R 4.7725 8.6092 126.3476 55.9075 31.5572 175.8828 135 V 4.9599 8.9376 116.4356 59.7655 36.4206 173.9913 136 C 5.1670 9.2391 119.6920 58.1555 30.7134 173.0859 137 L 5.1658 8.7733 123.6659 52.6027 44.2501 175.6100 138 N 4.6691 8.9455 122.6744 53.7326 39.6163 175.9997 139 Q 3.9466 8.7791 124.7920 59.2737 29.2298 178.0190 140 Q 4.1007 8.4977 116.3302 58.3534 28.7654 177.1415 141 T 4.2687 7.9011 104.2664 60.4372 70.0196 174.8229 142 L 3.6388 8.1518 120.7813 55.3001 40.1747 174.6520 143 T 4.0863 7.3819 116.0757 63.8035 69.8069 173.7256 144 V 4.1874 8.6672 125.9054 63.1391 32.0907 176.4113 145 V 4.4851 8.2603 120.7959 60.9398 32.8392 175.0645 146 D 4.5124 7.4353 118.4273 53.6126 44.4756 174.1887 147 V 4.8288 8.3747 122.0752 61.0053 34.0833 174.9282 148 L 4.5582 8.6367 127.8242 53.1694 42.5000 175.2936 149 P 4.3998 0.0000 0.0000 62.9838 31.8607 174.7487 150 E 4.7597 8.1228 117.8528 53.8429 32.7704 175.8123 151 L 4.0267 8.0655 119.4617 56.3051 42.2039 177.5416 152 E 4.1333 8.7743 120.4479 56.8138 28.8599 174.5318 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 75 K 8.17 4.30 0.00 1.94 1.79 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.50 7.81 76 E 8.71 3.75 0.00 2.11 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 2.37 2.46 0.00 77 N 8.91 4.38 0.00 2.77 2.84 0.00 0.00 7.15 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 78 E 8.09 3.98 0.00 2.18 1.99 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 2.39 2.39 0.00 79 I 7.90 3.70 2.03 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 1.52 0.87 0.91 0.00 0.00 80 L 8.08 4.00 0.00 1.83 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.24 3.95 0.00 1.85 1.97 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 82 R 8.15 3.84 0.00 1.95 2.17 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 83 E 8.24 3.90 0.00 2.07 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 2.32 2.36 0.00 84 L 7.84 4.07 0.00 1.74 1.83 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.20 4.52 0.00 2.95 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 86 R 8.04 4.26 0.00 1.89 1.93 0.00 3.24 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 *88 R 8.02 4.34 0.00 1.88 2.03 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 89 V 7.41 3.81 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 0.71 0.00 0.00 0.97 0.00 0.00 90 P 0.00 4.39 0.00 2.16 2.04 0.00 3.75 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 1.97 1.94 0.00 91 P 0.00 4.52 0.00 2.19 2.09 0.00 3.93 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 2.08 1.98 0.00 92 L 8.01 4.84 0.00 1.53 1.60 0.92 0.89 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 93 I 8.40 4.05 1.85 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 1.10 0.57 0.93 0.00 0.00 94 V 8.45 4.52 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 0.97 0.00 0.00 0.94 0.00 0.00 95 G 9.13 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 0.00 0.00 0.00 0.00 96 T 8.83 5.16 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 97 V 8.66 3.80 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 1.03 0.00 0.00 0.98 0.00 0.00 98 V 9.02 3.82 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 0.77 0.00 0.00 0.94 0.00 0.00 99 D 7.45 4.51 0.00 2.78 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 0.00 0.00 0.00 0.00 100 K 8.82 4.56 0.00 1.79 1.72 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 101 V 8.41 4.33 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 0.69 0.00 0.00 0.98 0.00 0.00 102 G 7.86 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 0.00 103 E 8.41 3.77 0.00 1.93 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 2.38 0.00 104 R 7.70 4.84 0.00 1.71 1.78 0.00 3.05 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 105 K 8.29 5.22 0.00 1.68 1.65 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 106 V 8.75 4.90 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 0.67 0.00 0.00 0.95 0.00 0.00 107 V 9.01 4.64 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 0.95 0.00 0.00 0.94 0.00 0.00 108 V 9.03 4.80 2.18 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 1.03 0.00 0.00 0.97 0.00 0.00 109 K 9.28 4.65 0.00 1.83 1.70 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 110 S 8.88 4.81 0.00 4.25 4.14 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 0.00 111 S 8.81 4.26 0.00 4.05 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 0.00 112 T 7.66 4.07 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 1.25 0.00 0.00 113 G 7.50 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 0.00 114 P 0.00 4.37 0.00 1.47 2.01 0.00 3.73 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 2.25 2.09 0.00 115 S 7.72 5.20 0.00 3.59 3.70 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 0.00 116 F 9.09 4.95 0.00 2.97 2.88 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 0.00 0.00 0.00 117 L 8.69 5.09 0.00 1.65 1.61 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.97 4.66 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 0.80 0.00 0.00 0.99 0.00 0.00 119 N 8.59 5.07 0.00 2.63 2.69 0.00 0.00 6.26 7.68 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 0.00 120 V 7.96 4.59 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 0.72 0.00 0.00 0.92 0.00 0.00 121 S 8.91 4.17 0.00 3.98 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 0.00 122 H 8.84 3.97 0.00 2.79 2.96 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.05 4.51 0.00 3.09 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 0.00 124 V 7.60 4.23 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 0.76 0.00 0.00 1.01 0.00 0.00 125 N 8.52 4.61 0.00 2.86 2.92 0.00 0.00 7.12 7.71 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 0.00 126 P 0.00 4.04 0.00 2.21 2.11 0.00 3.64 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 127 D 8.35 4.49 0.00 2.80 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 0.00 128 D 8.63 4.73 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 0.00 129 L 7.39 4.68 0.00 1.73 1.57 0.93 1.11 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 0.00 130 A 8.08 4.56 1.22 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 0.00 0.00 0.00 131 P 0.00 4.54 0.00 2.05 2.15 0.00 3.66 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 2.03 2.10 0.00 132 G 9.02 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 0.00 133 K 7.89 4.15 0.00 2.04 1.73 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.66 1.48 7.81 134 R 8.61 4.77 0.00 1.82 1.84 0.00 3.12 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 135 V 8.94 4.96 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 0.75 0.00 0.00 0.98 0.00 0.00 136 C 9.24 5.17 0.00 2.80 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 0.00 137 L 8.77 5.17 0.00 1.49 1.61 0.92 0.39 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 0.00 138 N 8.95 4.67 0.00 2.75 2.65 0.00 0.00 6.98 8.31 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 0.00 139 Q 8.78 3.95 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 140 Q 8.50 4.10 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 141 T 7.90 4.27 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 1.19 0.00 0.00 142 L 8.15 3.64 0.00 1.59 1.57 -0.46 0.68 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 0.00 143 T 7.38 4.09 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 1.23 0.00 0.00 144 V 8.67 4.19 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 1.03 0.00 0.00 0.94 0.00 0.00 145 V 8.26 4.49 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 0.78 0.00 0.00 0.93 0.00 0.00 146 D 7.44 4.51 0.00 2.75 2.44 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 0.00 147 V 8.37 4.83 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 0.95 0.00 0.00 0.94 0.00 0.00 148 L 8.64 4.56 0.00 1.57 1.58 0.93 1.04 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 0.00 149 P 0.00 4.40 0.00 2.18 2.06 0.00 3.71 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 1.99 1.99 0.00 150 E 8.12 4.76 0.00 1.94 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 2.19 2.28 0.00 151 L 8.07 4.03 0.00 1.63 1.60 0.92 0.93 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 0.00 152 E 8.77 4.13 0.00 2.13 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 2.17 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.