# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 L C C 115.51 3.97 11.57 17.17 113.40 -149.59 -89.38 127.22 99.91 0.08 0.00 99.90 0.04 0.01 0.00 0.00 0.00 0.04 0.01 1 M C C 128.44 4.08 8.86 14.88 114.49 -147.45 -88.90 129.78 90.66 8.47 0.86 90.34 0.56 0.99 0.41 0.25 0.00 5.34 2.11 2 K C C 144.84 2.66 10.69 15.06 117.84 -153.01 -102.38 137.20 80.05 18.52 1.43 68.70 8.49 2.16 0.81 0.71 0.00 12.05 7.09 3 T C C 73.84 9.04 9.46 19.50 120.26 -138.95 -95.56 144.48 80.33 17.93 1.74 70.02 8.10 1.52 1.17 0.71 0.00 11.01 7.46 4 H C C 91.19 7.95 11.91 21.07 113.45 -114.41 -81.90 134.86 89.23 7.85 2.92 82.05 5.97 1.18 2.63 0.57 0.00 4.83 2.78 5 K H H 150.44 2.24 14.28 17.60 93.53 -136.67 -63.38 -34.15 20.99 0.70 78.31 7.67 4.83 9.47 65.62 11.63 0.09 0.41 0.26 6 G H H 36.41 4.09 15.28 20.50 92.42 56.67 -64.68 -37.73 17.10 0.25 82.65 2.63 2.42 11.03 67.29 16.28 0.09 0.15 0.10 7 T H H 27.07 14.47 12.48 27.57 92.96 51.24 -68.41 -35.04 9.20 0.19 90.61 1.98 1.25 5.34 71.20 20.03 0.03 0.12 0.05 8 A H H 41.86 11.34 13.98 26.18 91.20 59.14 -63.38 -33.10 8.06 0.23 91.72 1.71 1.04 4.72 69.72 22.56 0.03 0.15 0.06 9 K H H 141.83 2.10 19.61 21.31 92.26 58.13 -72.61 -18.05 33.35 0.51 66.14 2.51 2.68 25.41 46.19 22.58 0.10 0.33 0.19 10 R C T 94.32 10.11 16.20 26.92 95.33 57.54 -86.90 -12.55 52.76 1.92 45.32 5.26 7.07 38.57 31.75 14.98 0.30 1.40 0.66 11 W E E 60.13 17.70 11.15 28.31 122.40 78.82 -104.86 140.59 17.73 80.87 1.40 14.66 2.85 0.82 1.19 0.51 0.00 77.43 2.53 12 R E E 124.90 4.45 17.45 23.20 124.24 -168.13 -119.43 141.31 4.59 95.25 0.15 4.12 0.32 0.08 0.11 0.04 0.00 94.68 0.65 13 R E E 142.66 6.45 11.08 19.45 113.56 -123.49 -83.85 129.36 8.75 91.09 0.16 7.45 0.87 0.22 0.08 0.07 0.00 90.31 1.01 14 T C C 79.71 4.31 9.97 16.05 114.67 -172.41 -114.73 112.94 59.94 39.92 0.13 54.65 2.80 0.50 0.03 0.08 0.00 41.25 0.68 15 G C S 64.92 0.58 11.57 11.14 102.86 -69.69 58.64 -89.89 98.99 0.79 0.22 13.56 44.01 41.46 0.03 0.19 0.00 0.65 0.09 16 N C S 137.54 0.88 11.18 11.78 101.69 0.65 -100.19 0.02 99.27 0.51 0.22 14.19 48.14 36.96 0.02 0.22 0.00 0.39 0.08 17 T C C 67.17 4.78 11.91 18.40 130.02 46.74 -127.94 157.57 57.72 42.21 0.07 44.86 10.90 0.67 0.01 0.07 0.00 42.82 0.67 18 F E E 81.05 11.64 10.75 23.41 118.92 -120.67 -100.34 135.77 16.97 83.02 0.01 16.68 0.38 0.02 0.00 0.01 0.00 82.52 0.40 19 K E E 90.16 7.61 16.42 25.60 124.66 -168.98 -121.66 141.22 3.55 96.44 0.01 3.47 0.11 0.01 0.00 0.00 0.00 95.98 0.42 20 R E E 103.17 11.62 14.82 27.05 121.83 -142.82 -106.86 138.99 11.56 88.40 0.04 10.99 0.52 0.05 0.02 0.02 0.00 87.26 1.14 21 G C C 24.29 10.44 14.15 25.70 121.10 -135.79 -88.96 161.23 66.66 32.97 0.37 58.83 6.33 0.62 0.10 0.28 0.00 32.65 1.19 22 I C C 92.19 6.83 15.00 22.96 115.34 -110.67 -87.92 141.83 89.87 7.02 3.11 79.11 7.79 2.83 0.78 2.46 0.00 5.20 1.84 23 A C T 65.12 6.87 11.97 20.39 112.27 -104.83 -66.34 141.34 89.07 1.54 9.39 15.29 16.24 57.25 1.66 7.90 0.01 0.82 0.84 24 G C T 54.57 3.13 14.14 18.10 97.31 17.19 76.75 4.24 88.15 1.07 10.78 19.93 14.28 53.90 2.29 8.43 0.00 0.52 0.65 25 R C C 128.65 6.48 10.53 18.57 104.60 120.93 -87.84 14.62 78.61 1.81 19.59 54.10 13.90 9.50 5.87 14.50 0.00 0.71 1.42 26 K C C 144.14 2.93 12.23 16.62 106.52 78.73 -83.73 67.36 68.68 2.49 28.83 32.60 15.63 19.74 5.77 23.38 0.01 0.97 1.89 27 H C T 123.09 4.99 11.14 17.64 101.88 -75.56 -72.92 3.60 65.93 1.18 32.89 9.62 11.89 43.26 5.95 27.74 0.03 0.58 0.91 28 G C T 49.48 3.99 12.73 17.98 97.33 37.81 -67.81 -0.25 70.60 1.42 27.98 15.30 12.48 42.10 5.39 23.06 0.02 0.65 1.00 29 N C C 65.82 9.70 9.11 19.81 97.82 90.29 -91.96 8.06 88.59 2.98 8.43 71.97 10.07 5.30 2.45 6.35 0.00 1.11 2.75 30 I C T 124.25 3.13 10.71 15.85 100.06 121.76 -69.52 -7.47 96.42 0.62 2.96 6.45 7.17 82.61 0.58 2.41 0.00 0.31 0.46 31 G C T 67.09 0.41 13.80 11.87 95.97 44.33 -85.09 0.63 97.47 0.16 2.36 3.75 9.36 84.30 0.37 2.05 0.00 0.10 0.07 32 W C C 90.14 10.61 6.16 17.14 120.16 113.02 -84.89 148.26 98.94 0.61 0.45 52.66 45.83 0.36 0.23 0.13 0.00 0.11 0.67 33 S C C 65.21 1.53 13.95 14.99 117.91 -106.25 -69.92 158.85 99.41 0.31 0.28 98.75 0.66 0.09 0.19 0.02 0.00 0.06 0.23 34 H H H 150.05 2.16 10.31 14.20 91.42 -105.55 -58.76 -37.02 2.45 0.00 97.55 0.44 0.38 1.43 97.02 0.73 0.00 0.00 0.00 35 R H H 172.29 0.73 13.55 12.96 91.69 53.30 -65.02 -39.05 1.69 0.01 98.30 0.21 0.16 1.17 97.60 0.86 0.00 0.00 0.00 36 S H H 48.24 4.31 12.29 18.35 92.61 48.37 -66.21 -40.03 1.06 0.01 98.92 0.22 0.11 0.64 98.07 0.95 0.00 0.01 0.00 37 L H H 57.40 10.09 10.77 22.02 92.11 52.11 -64.10 -41.00 0.87 0.00 99.12 0.18 0.07 0.50 98.53 0.71 0.00 0.00 0.00 38 K H H 135.26 1.89 15.53 17.52 91.89 51.25 -64.89 -37.04 4.28 0.01 95.71 0.29 0.21 3.52 94.16 1.80 0.01 0.00 0.00 39 A H H 73.20 2.28 15.53 18.01 92.31 53.87 -69.61 -27.78 12.33 0.02 87.65 0.47 0.49 11.15 85.84 2.01 0.01 0.01 0.01 40 L H H 62.13 11.86 11.52 23.94 96.20 53.92 -83.33 -11.62 30.31 0.72 68.96 5.05 4.16 21.05 66.61 2.39 0.07 0.37 0.31 41 T C H 78.92 7.46 13.17 21.74 106.02 83.42 -83.37 60.69 63.52 5.67 30.81 26.54 13.70 23.50 28.13 2.76 0.09 3.44 1.84 42 G C C 39.77 3.53 16.14 20.36 125.99 87.72 -115.55 -174.52 85.93 10.50 3.57 41.53 27.65 17.24 1.87 1.61 0.00 9.09 1.00 43 R C C 158.19 4.90 13.59 20.45 116.10 -62.83 -88.98 134.76 74.82 24.03 1.16 61.11 9.51 2.74 0.39 0.71 0.00 24.58 0.94 44 K E E 100.51 7.00 14.72 23.43 129.29 171.70 -130.94 149.01 19.86 79.83 0.31 17.79 1.96 0.35 0.14 0.17 0.00 77.23 2.37 45 I E E 102.29 6.31 17.17 24.75 115.15 -119.73 -85.27 134.55 12.38 87.53 0.09 11.48 0.77 0.10 0.06 0.04 0.00 82.76 4.79 46 A C C 22.08 18.78 9.17 26.90 116.31 -128.95 -81.49 141.91 63.12 36.83 0.05 61.27 1.71 0.08 0.02 0.03 0.00 34.59 2.30 47 H C C 98.94 3.88 16.93 21.33 122.12 -134.15 -88.96 159.89 99.31 0.66 0.03 98.58 0.91 0.02 0.01 0.01 0.00 0.39 0.08 48 P H G 103.20 3.12 12.67 17.57 90.69 -103.76 -58.09 -33.94 15.97 0.05 83.98 0.89 1.19 12.61 32.29 52.95 0.01 0.03 0.02 49 A H G 83.34 1.17 15.07 15.36 90.78 57.82 -67.33 -26.99 15.43 0.05 84.52 0.68 0.94 12.74 31.88 53.69 0.02 0.03 0.03 50 Y H G 69.30 12.13 11.50 24.46 97.48 46.89 -97.18 -6.21 12.38 0.17 87.45 2.54 1.39 7.66 32.41 55.84 0.01 0.11 0.05 51 S H H 33.78 13.07 11.45 25.27 92.35 90.83 -60.02 -41.92 2.43 0.01 97.57 1.10 0.23 1.02 96.23 1.42 0.00 0.00 0.00 52 K H H 139.08 1.22 18.36 18.01 91.88 51.33 -64.86 -39.98 0.77 0.00 99.23 0.09 0.05 0.55 97.84 1.48 0.00 0.00 0.00 53 H H H 100.10 3.66 17.19 21.32 92.07 48.90 -65.62 -40.87 0.38 0.00 99.62 0.04 0.02 0.28 98.45 1.22 0.00 0.00 0.00 54 L H H 24.65 17.19 11.99 29.22 92.52 50.50 -65.40 -40.79 0.29 0.00 99.71 0.02 0.01 0.21 98.62 1.13 0.00 0.00 0.00 55 K H H 110.25 7.12 15.41 23.74 91.35 54.74 -63.46 -36.46 2.60 0.00 97.39 0.08 0.06 2.53 91.75 5.57 0.00 0.00 0.00 56 R H H 170.69 1.18 17.02 17.13 91.91 55.26 -68.63 -26.78 21.02 0.00 78.98 0.16 0.27 22.65 71.95 4.96 0.00 0.00 0.00 57 L H H 78.22 7.93 13.46 22.66 96.21 50.76 -89.02 -10.93 35.35 0.03 64.62 0.61 1.35 34.25 58.26 5.47 0.02 0.01 0.03 58 L C S 46.56 14.15 8.21 22.36 113.85 99.56 -81.21 133.67 96.55 0.90 2.55 43.13 50.57 2.79 0.95 1.38 0.00 0.26 0.92 59 P C T 92.90 3.28 13.01 17.56 96.20 -136.31 -65.50 -20.16 94.20 0.72 5.09 21.44 16.00 56.47 0.60 4.78 0.00 0.38 0.34 60 Y C T 155.60 3.44 10.30 15.21 103.32 49.53 -91.43 29.41 93.81 0.98 5.21 38.89 4.98 50.24 0.83 4.08 0.00 0.56 0.43 61 H C C 119.65 6.56 11.15 19.20 106.52 120.06 -81.52 100.65 99.88 0.08 0.04 99.67 0.15 0.10 0.01 0.01 0.00 0.03 0.02