NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 98 G 3.7846 8.3549 109.7137 45.1017 0.0000 173.1668 99 F 4.1055 8.2700 117.4247 56.2442 39.5418 174.2952 100 L 4.2192 9.2307 124.4533 54.9362 43.0717 176.5226 101 K 4.4031 8.4319 119.8651 55.8743 33.9619 177.2855 102 G 3.9495 8.7673 106.9150 45.4538 0.0000 172.8617 103 G 4.0841 7.8226 107.3392 44.4507 0.0000 173.5477 104 F 4.6321 8.6431 118.7528 56.6536 39.9939 175.2983 105 D 4.6178 9.1376 123.7200 53.5646 41.2567 175.1098 106 P 4.4491 0.0000 0.0000 65.1410 31.2309 176.5849 107 K 4.6528 7.5225 114.7880 54.3371 35.6473 175.1694 108 M 3.9949 8.4027 120.3873 55.3113 32.8050 175.6292 109 N 4.3680 7.7412 122.1500 49.8675 42.2182 175.5370 110 S 4.2817 8.5576 116.4573 61.7192 62.9705 176.8733 111 K 3.8916 7.9683 121.5770 59.5661 32.0332 178.2813 112 E 3.8713 8.5921 119.3333 59.0948 29.4760 178.2048 113 A 3.9690 8.1267 121.2705 55.5663 18.4121 179.7290 114 L 4.0173 7.9994 117.1358 57.9871 41.8130 179.8023 115 Q 4.0733 8.0290 118.0451 58.8257 28.3995 178.5817 116 I 3.7802 8.1463 120.3274 64.3009 37.3420 177.6263 117 L 4.3313 7.5655 115.6808 53.4793 42.5859 175.9249 118 N 4.1219 7.8312 116.3023 55.1042 37.5983 172.4202 119 L 4.8807 8.4171 116.3412 53.0609 45.7768 175.8469 120 T 4.7702 8.4473 109.2807 59.4371 71.8898 174.8739 121 E 3.9519 8.9959 120.8637 59.8724 29.6246 178.5837 122 N 4.4428 8.4381 114.5009 56.6148 38.5026 176.1964 123 T 4.1911 7.4603 104.4890 61.9782 69.5285 174.6588 124 L 4.0626 7.6062 125.8299 55.4358 42.5087 176.3128 125 T 4.6859 8.1258 118.3298 59.3852 71.7803 174.1629 126 K 3.8880 8.6612 125.1599 59.5209 32.2155 179.3479 127 K 3.8730 8.0069 119.1827 59.5469 32.0888 178.5914 128 K 3.9742 7.9547 119.3244 59.1691 32.2915 178.1847 129 L 3.9324 8.2266 121.1030 58.0956 41.9488 178.9592 130 K 3.9134 8.0608 119.3597 59.4196 32.1781 178.1258 131 E 3.8932 8.0394 119.3291 59.7365 29.5077 179.3814 132 V 3.6896 8.0805 112.4249 64.4753 31.5029 178.1346 133 H 4.1070 8.2557 118.1250 59.0408 29.6305 177.1749 134 R 3.8220 8.0014 120.5035 59.4572 29.8556 178.4947 135 K 3.9178 7.9818 118.0450 59.7474 32.1632 179.4747 136 I 3.7948 8.0025 120.1317 64.3772 37.0595 178.2015 137 M 3.9809 8.1604 119.2695 58.4984 31.8317 178.1611 138 L 3.9919 8.0748 118.3587 57.9328 41.8992 179.1562 139 A 4.1675 7.7342 119.1692 54.3895 18.6068 178.4067 140 N 4.7760 7.7737 112.5719 52.1110 39.1965 174.3605 141 H 4.3269 7.6315 122.1440 55.5439 30.3726 174.5267 142 P 4.6251 0.0000 0.0000 65.0186 31.3509 177.4091 143 D 4.5449 8.4801 116.5587 56.1671 40.9091 176.9239 144 K 4.4459 8.3968 118.2312 56.0433 32.3199 177.1652 145 G 3.9478 8.4795 106.5972 45.0312 0.0000 174.6792 146 G 4.2035 7.6616 107.9388 44.8020 0.0000 172.6597 147 S 4.5248 8.4044 114.4924 56.6242 63.6028 172.9369 148 P 4.2433 0.0000 0.0000 65.9752 31.1115 178.3064 149 F 4.2463 8.2124 118.7149 61.2346 39.3304 177.0581 150 L 3.6657 7.7733 118.3073 57.5222 41.3404 179.1336 151 A 3.9065 7.8852 120.7049 55.5565 18.2930 179.6770 152 T 3.7084 7.8727 114.0860 66.7973 68.4397 176.9036 153 K 3.5849 7.4030 120.1104 59.2652 32.0354 179.4556 154 I 3.6692 7.8899 120.3625 64.5285 37.0316 178.2964 155 N 4.3970 8.4017 117.5660 56.2214 38.2649 177.1511 156 E 3.9232 8.6875 120.1181 59.4664 29.4622 179.2114 157 A 3.9908 8.1798 120.8158 55.2269 18.4540 179.6891 158 K 3.9399 7.9603 117.5373 59.8026 32.4334 178.8713 159 D 4.3860 8.5955 119.6810 57.0742 40.6480 178.5480 160 F 4.0430 8.5668 121.5724 61.3980 39.4743 177.2326 161 L 4.1094 7.9478 118.4581 57.2757 41.1987 179.3684 162 E 3.9122 7.9869 118.2897 59.1156 29.4895 178.8739 163 K 3.9459 7.6166 117.8615 59.5321 32.3976 178.2884 164 R 3.7818 7.0433 117.9753 58.5719 30.3100 177.3386 165 G 4.0176 7.0948 102.2282 45.2759 0.0000 173.4998 166 I 3.7331 8.1301 121.0764 63.7761 37.3371 176.9250 167 S 4.5110 8.2970 116.4595 56.7563 63.3024 174.2044 168 K 4.0153 8.7096 124.0560 56.7709 32.4690 174.6575 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 98 G 8.35 3.78 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 0.00 0.00 0.00 99 F 8.27 4.11 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.23 4.22 0.00 1.64 1.59 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.43 4.40 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.42 7.81 102 G 8.77 3.95 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 0.00 103 G 7.82 4.08 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 0.00 104 F 8.64 4.63 0.00 3.13 2.97 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 0.00 105 D 9.14 4.62 0.00 2.92 2.61 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 0.00 106 P 0.00 4.45 0.00 2.19 2.22 0.00 3.73 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 2.01 1.99 0.00 107 K 7.52 4.65 0.00 1.81 1.77 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.38 7.81 108 M 8.40 3.99 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.58 0.00 109 N 7.74 4.37 0.00 2.86 2.71 0.00 0.00 6.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.56 4.28 0.00 3.99 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 0.00 111 K 7.97 3.89 0.00 1.82 1.94 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 112 E 8.59 3.87 0.00 2.23 1.85 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 2.36 2.37 0.00 113 A 8.13 3.97 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.00 4.02 0.00 1.90 1.98 1.03 0.97 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 0.00 115 Q 8.03 4.07 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 116 I 8.15 3.78 2.08 0.00 0.00 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 1.72 0.69 0.95 0.00 0.00 117 L 7.57 4.33 0.00 1.61 1.73 0.97 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.83 4.12 0.00 2.87 2.84 0.00 0.00 6.90 7.07 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 0.00 119 L 8.42 4.88 0.00 1.60 1.56 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.45 4.77 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 0.00 121 E 9.00 3.95 0.00 1.99 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 2.35 2.32 0.00 122 N 8.44 4.44 0.00 2.71 2.90 0.00 0.00 6.89 7.54 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 0.00 123 T 7.46 4.19 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 0.00 124 L 7.61 4.06 0.00 1.99 1.72 0.98 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 0.00 125 T 8.13 4.69 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 1.27 0.00 0.00 126 K 8.66 3.89 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.50 7.81 127 K 8.01 3.87 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 128 K 7.95 3.97 0.00 1.91 1.79 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.56 7.81 129 L 8.23 3.93 0.00 1.85 1.85 0.95 0.38 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 0.00 130 K 8.06 3.91 0.00 1.89 1.95 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 131 E 8.04 3.89 0.00 2.12 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 2.37 0.00 132 V 8.08 3.69 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 0.79 0.00 0.00 1.08 0.00 0.00 133 H 8.26 4.11 0.00 3.25 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.00 3.82 0.00 1.96 2.11 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 135 K 7.98 3.92 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.69 7.81 136 I 8.00 3.79 1.96 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 1.41 1.06 0.96 0.00 0.00 137 M 8.16 3.98 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 138 L 8.07 3.99 0.00 1.83 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.73 4.17 1.33 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 0.00 0.00 140 N 7.77 4.78 0.00 2.98 2.81 0.00 0.00 6.58 8.10 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 0.00 141 H 7.63 4.33 0.00 3.33 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.63 0.00 2.08 2.11 0.00 3.43 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 143 D 8.48 4.54 0.00 2.62 2.72 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 0.00 144 K 8.40 4.45 0.00 1.88 1.79 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.33 7.81 145 G 8.48 3.95 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 0.00 146 G 7.66 4.20 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 0.00 147 S 8.40 4.52 0.00 3.95 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 0.00 148 P 0.00 4.24 0.00 2.24 2.13 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 149 F 8.21 4.25 0.00 2.96 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 0.00 150 L 7.77 3.67 0.00 1.86 1.69 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.89 3.91 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 0.00 152 T 7.87 3.71 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 1.14 0.00 0.00 153 K 7.40 3.58 0.00 1.35 1.28 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.21 7.81 154 I 7.89 3.67 1.97 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 1.51 1.11 0.90 0.00 0.00 155 N 8.40 4.40 0.00 2.81 2.85 0.00 0.00 7.07 7.82 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 0.00 156 E 8.69 3.92 0.00 2.08 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 2.30 2.37 0.00 157 A 8.18 3.99 1.43 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 0.00 0.00 158 K 7.96 3.94 0.00 1.83 1.75 0.00 1.21 0.00 0.00 1.52 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.43 7.81 159 D 8.60 4.39 0.00 2.80 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 0.00 160 F 8.57 4.04 0.00 3.24 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 0.00 161 L 7.95 4.11 0.00 1.73 1.73 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.99 3.91 0.00 1.92 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 2.32 2.49 0.00 163 K 7.62 3.95 0.00 1.78 1.76 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 164 R 7.04 3.78 0.00 1.54 1.94 0.00 3.29 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 165 G 7.09 4.02 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 0.00 0.00 0.00 166 I 8.13 3.73 1.86 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 1.40 0.84 0.94 0.00 0.00 167 S 8.30 4.51 0.00 3.84 3.80 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 0.00 168 K 8.71 4.02 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.22 1.14 7.81