# 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 E C C 119.97 3.53 13.19 17.69 102.62 61.04 -75.41 -14.82 99.16 0.04 0.80 98.93 0.11 0.17 0.75 0.02 0.00 0.01 0.01 1 E H H 125.77 1.92 12.03 14.46 95.63 63.36 -67.19 -38.68 25.24 0.12 74.64 20.26 0.90 4.20 72.87 1.67 0.00 0.05 0.05 2 E H H 111.47 3.49 11.61 16.40 93.67 52.23 -66.74 -38.33 13.10 0.14 86.77 7.60 1.69 4.31 83.85 2.43 0.00 0.06 0.05 3 R H H 125.50 4.41 12.58 18.40 92.75 52.16 -65.47 -39.00 6.58 0.11 93.31 3.50 0.94 2.47 90.12 2.86 0.00 0.06 0.03 4 S H H 60.16 1.98 14.84 16.80 92.29 51.90 -64.74 -40.69 6.08 0.14 93.78 3.13 0.91 2.42 90.96 2.45 0.01 0.08 0.04 5 K H H 106.56 3.28 15.93 19.84 92.45 50.54 -65.21 -40.74 5.68 0.17 94.15 2.63 0.86 2.56 91.77 2.02 0.01 0.11 0.04 6 V H H 43.67 10.61 12.99 24.93 92.59 50.78 -64.88 -41.19 4.87 0.15 94.98 2.06 0.65 2.32 92.59 2.24 0.01 0.10 0.03 7 D H H 85.76 3.61 16.59 20.96 92.16 52.10 -64.85 -38.57 6.91 0.11 92.98 2.15 0.77 3.97 89.81 3.18 0.01 0.08 0.04 8 D H H 98.72 2.14 17.15 19.20 92.60 52.42 -68.56 -31.84 15.98 0.10 83.92 2.00 1.33 12.30 80.49 3.75 0.04 0.05 0.05 9 L H H 66.37 10.61 13.24 24.69 95.16 53.06 -79.79 -15.66 31.77 0.38 67.84 5.90 3.83 22.23 64.06 3.51 0.08 0.17 0.22 10 R C H 124.89 9.07 13.10 23.09 103.68 88.20 -73.66 23.46 64.85 2.36 32.79 24.46 9.48 30.42 30.68 2.72 0.06 1.01 1.17 11 G C T 53.74 2.65 16.05 19.34 101.30 54.36 -72.34 -11.70 90.62 1.88 7.50 32.99 21.66 36.56 4.75 2.30 0.00 0.92 0.81 12 T C C 71.57 6.15 13.42 21.16 118.27 79.99 -99.46 137.76 96.61 1.92 1.47 55.02 37.94 3.75 0.55 0.81 0.00 0.73 1.19 13 P C T 82.98 7.04 14.13 22.39 103.53 -116.60 -66.91 63.70 88.29 1.42 10.29 29.11 26.20 32.89 1.12 9.35 0.00 0.79 0.54 14 M C T 102.34 8.82 17.15 26.33 100.71 38.44 -73.90 21.17 80.70 7.59 11.71 27.33 23.35 31.06 1.17 10.41 0.01 5.36 1.31 15 S C C 32.90 14.04 18.24 32.42 110.09 128.17 -92.08 106.75 65.83 24.36 9.81 44.60 12.23 9.35 1.38 8.52 0.01 21.86 2.05 16 V E E 44.98 14.99 20.70 35.50 122.21 102.61 -111.01 135.75 40.35 58.44 1.22 31.33 7.84 1.99 0.41 0.86 0.00 55.00 2.56 17 G E E 9.92 18.54 20.31 38.05 138.85 123.76 -143.00 169.73 19.92 79.92 0.16 14.33 4.89 0.63 0.03 0.11 0.00 79.65 0.35 18 T E E 54.46 9.03 25.48 35.31 124.57 -110.56 -116.61 140.34 7.16 92.80 0.05 5.85 0.95 0.08 0.01 0.03 0.00 92.85 0.23 19 L E E 22.88 22.09 14.19 36.24 110.40 -127.50 -81.56 124.29 3.19 96.78 0.03 2.95 0.14 0.01 0.01 0.01 0.00 96.75 0.12 20 E E E 91.80 6.21 21.06 28.06 100.14 176.33 -92.53 -33.90 3.95 96.01 0.04 2.53 1.14 0.08 0.00 0.02 0.00 96.19 0.03 21 E E E 97.66 3.64 23.74 27.58 136.59 -2.22 -152.46 148.11 1.60 98.37 0.02 1.08 0.29 0.03 0.00 0.01 0.00 98.58 0.01 22 I E E 62.29 16.64 12.06 28.20 110.51 -127.70 -85.06 120.91 3.11 96.86 0.03 2.81 0.17 0.02 0.01 0.01 0.00 96.87 0.11 23 I E E 82.62 6.10 16.16 23.81 100.49 176.65 -91.08 -35.87 28.43 71.38 0.19 17.52 9.53 1.67 0.02 0.17 0.00 70.68 0.41 24 D E E 70.07 2.57 19.57 21.70 139.01 -17.05 -158.51 174.07 40.60 59.05 0.35 5.31 25.04 11.15 0.02 0.36 0.00 57.23 0.88 25 D C T 111.82 4.13 15.70 21.59 92.76 -75.21 -65.05 -22.82 99.54 0.25 0.21 0.53 24.30 74.77 0.00 0.20 0.00 0.16 0.03 26 N C T 78.23 10.19 15.88 26.59 102.16 26.28 -114.33 1.82 99.48 0.40 0.11 0.67 24.71 74.17 0.00 0.12 0.00 0.30 0.03 27 H E E 52.62 10.82 19.98 32.20 132.63 67.23 -133.44 145.74 5.63 94.36 0.00 4.68 0.53 0.02 0.00 0.00 0.00 94.59 0.18 28 A E E 4.24 21.86 17.09 39.64 134.27 -177.49 -137.59 154.28 0.28 99.72 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.75 0.00 29 I E E 32.79 11.09 25.32 37.84 117.35 -134.59 -103.70 128.69 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 30 V E E 5.86 23.19 17.59 41.26 126.19 -172.05 -122.25 142.11 0.28 99.72 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 31 S E E 36.00 8.67 22.41 32.05 118.94 -144.97 -102.44 135.27 2.74 97.25 0.01 2.46 0.13 0.01 0.00 0.00 0.00 97.30 0.10 32 T E E 22.67 15.99 12.44 28.76 126.06 -159.67 -105.81 167.37 49.08 50.65 0.27 45.13 2.47 0.51 0.06 0.21 0.00 50.27 1.36 33 S C T 84.14 3.54 14.32 19.38 91.94 -100.89 -65.47 -20.08 97.30 1.38 1.32 2.08 21.90 73.34 0.06 1.33 0.00 1.06 0.23 34 V C T 107.25 2.55 13.06 16.41 96.72 55.68 -88.83 0.17 98.21 0.62 1.17 1.57 20.67 75.97 0.05 1.19 0.00 0.40 0.15 35 G C S 47.33 2.79 14.37 17.94 104.30 -97.48 91.68 0.29 95.59 3.75 0.65 17.73 74.75 3.49 0.07 0.56 0.00 2.47 0.93 36 S C C 60.09 4.35 14.68 20.36 117.56 128.69 -76.95 149.82 94.02 5.85 0.13 87.05 5.92 0.76 0.02 0.12 0.00 5.73 0.40 37 E E E 101.95 10.56 13.66 25.14 121.34 -138.54 -109.00 137.30 33.95 65.99 0.06 30.48 2.31 0.17 0.01 0.05 0.00 66.26 0.72 38 H E E 57.93 12.85 16.93 30.70 127.89 -172.18 -124.92 141.86 1.72 98.27 0.01 1.53 0.11 0.01 0.00 0.00 0.00 98.29 0.06 39 Y E E 104.06 11.80 19.31 31.44 121.63 -152.76 -112.58 131.20 0.20 99.80 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.81 0.01 40 V E E 16.77 18.24 16.99 35.91 121.32 -169.41 -121.06 128.94 1.20 98.80 0.00 1.12 0.03 0.00 0.00 0.00 0.00 98.81 0.04 41 S E E 46.37 7.45 23.92 31.79 111.02 -134.29 -82.74 125.48 15.60 84.24 0.16 14.24 1.17 0.13 0.04 0.09 0.00 83.98 0.35 42 I C C 11.69 23.59 14.36 37.93 97.83 -158.47 -84.56 -13.74 51.38 5.58 43.04 38.79 5.93 7.14 4.68 38.09 0.00 4.81 0.56 43 L H G 72.28 13.12 16.10 29.28 92.44 83.19 -63.93 -24.84 20.99 1.23 77.77 6.65 3.42 10.48 4.55 73.76 0.00 0.96 0.18 44 S H G 83.89 2.12 19.70 21.62 91.68 62.76 -73.75 -17.32 21.69 0.32 77.99 1.40 2.27 16.82 4.19 75.06 0.00 0.20 0.07 45 F H G 79.93 12.32 15.80 28.43 100.44 40.04 -105.89 -8.66 33.52 0.41 66.06 2.26 3.81 25.43 3.33 64.79 0.00 0.24 0.13 46 V C S 14.38 22.70 10.15 32.01 129.08 62.83 -121.71 148.38 93.33 6.38 0.29 31.51 60.66 0.32 0.18 0.08 0.00 1.01 6.25 47 D C C 80.53 4.05 20.73 24.71 107.04 -116.70 -81.02 117.39 99.33 0.63 0.04 99.15 0.34 0.05 0.01 0.01 0.00 0.18 0.25 48 K H G 111.19 13.08 12.13 25.22 92.42 -144.15 -61.65 -28.36 17.08 0.13 82.80 0.94 1.14 12.74 0.88 84.22 0.00 0.08 0.01 49 D H G 123.51 0.94 19.22 18.57 90.85 62.40 -70.99 -17.73 17.99 0.06 81.95 0.29 0.76 15.35 0.68 82.89 0.00 0.04 0.01 50 L H G 61.14 11.06 16.23 28.11 96.08 55.10 -92.62 -11.67 18.16 0.10 81.74 0.90 1.33 13.23 0.77 83.71 0.00 0.05 0.01 51 L C C 8.94 25.33 10.13 34.68 115.41 89.75 -92.80 127.35 93.84 4.71 1.44 78.50 12.60 0.62 0.63 0.68 0.00 0.94 6.04 52 E C C 102.97 3.62 23.89 27.65 130.16 154.24 -125.57 154.00 99.13 0.78 0.09 94.08 4.70 0.22 0.03 0.03 0.00 0.24 0.69 53 P C T 85.14 8.19 16.20 25.60 110.36 -81.94 -59.17 137.23 98.95 0.75 0.30 0.26 1.91 97.14 0.01 0.17 0.00 0.35 0.15 54 G C T 45.83 4.09 19.99 24.84 95.36 23.40 88.22 -5.11 99.57 0.32 0.11 0.58 2.34 96.72 0.00 0.09 0.00 0.26 0.02 55 C C C 22.94 15.75 15.77 32.40 118.48 132.54 -75.82 147.82 90.14 9.84 0.02 86.86 2.85 0.11 0.00 0.02 0.00 9.83 0.33 56 S E E 34.09 11.34 24.33 36.20 120.35 -133.23 -97.88 139.90 7.88 92.10 0.02 7.79 0.26 0.02 0.01 0.01 0.00 91.45 0.47 57 V E E 4.25 24.87 19.10 44.34 130.09 -173.37 -130.08 148.34 0.75 99.25 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.23 0.02 58 L E E 30.88 13.49 25.95 40.13 117.84 -136.44 -101.99 131.09 0.38 99.61 0.00 0.35 0.02 0.00 0.00 0.00 0.00 99.61 0.01 59 L E E 14.73 21.78 17.80 39.69 121.58 -160.38 -111.94 132.10 1.31 98.68 0.01 1.21 0.08 0.01 0.00 0.01 0.00 98.59 0.10 60 N E E 42.45 9.40 18.59 29.82 108.84 -128.63 -84.05 118.34 25.99 73.87 0.14 23.34 1.31 0.28 0.02 0.09 0.00 74.50 0.45 61 H C T 98.04 10.79 14.26 25.95 94.03 -157.66 -68.62 -27.72 92.33 3.67 4.00 5.30 11.48 75.05 0.24 4.07 0.00 3.43 0.42 62 K C T 158.95 1.03 16.88 16.74 94.89 51.83 -72.64 -38.02 94.60 1.07 4.33 5.00 11.85 77.44 0.37 4.23 0.00 0.85 0.26 63 V C T 80.05 4.51 15.71 21.13 99.78 26.20 -102.40 -12.09 95.73 1.21 3.06 8.69 12.29 74.31 0.25 3.27 0.00 0.96 0.23 64 H C T 75.73 13.89 14.58 28.82 94.60 -122.94 61.97 35.28 93.16 6.07 0.77 24.78 10.13 58.14 0.11 0.65 0.00 5.91 0.27 65 A E E 31.75 9.55 22.27 32.91 126.22 147.26 -109.75 145.90 21.92 77.98 0.09 18.07 2.47 0.48 0.02 0.07 0.00 78.32 0.57 66 V E E 18.54 21.99 16.68 38.76 110.56 -115.39 -80.37 124.80 1.14 98.86 0.00 1.08 0.06 0.01 0.00 0.00 0.00 98.80 0.06 67 I E E 60.64 10.57 23.21 34.04 101.84 176.40 -100.82 -21.20 0.58 99.41 0.00 0.48 0.05 0.00 0.00 0.00 0.00 99.46 0.01 68 G E E 14.39 10.65 23.54 35.12 144.70 -37.23 169.04 174.21 0.42 99.58 0.00 0.35 0.03 0.00 0.00 0.00 0.00 99.62 0.01 69 V E E 39.06 16.83 17.96 34.61 120.50 -98.18 -109.43 133.01 2.03 97.97 0.00 1.79 0.12 0.01 0.00 0.00 0.00 97.93 0.15 70 L E E 47.72 14.36 14.93 29.63 105.56 -146.03 -86.83 69.79 36.16 63.61 0.23 29.83 4.94 0.82 0.05 0.19 0.00 63.22 0.96 71 M C C 100.42 6.43 14.76 22.35 124.02 9.79 -111.99 148.14 78.56 21.05 0.38 69.51 5.24 1.88 0.06 0.38 0.00 22.10 0.82 72 D C C 109.49 3.82 14.59 19.99 108.78 -105.40 -79.84 116.05 99.81 0.18 0.01 99.55 0.23 0.08 0.00 0.00 0.00 0.12 0.01