# 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 M C C 95.07 9.39 9.97 20.27 115.55 -142.13 -85.96 140.50 99.85 0.12 0.04 99.75 0.11 0.05 0.02 0.00 0.00 0.04 0.03 1 K C C 137.96 2.77 10.73 15.10 116.11 -127.85 -86.79 137.96 93.30 3.07 3.63 90.94 0.98 2.02 2.09 0.86 0.00 1.05 2.05 2 Q C T 148.30 1.53 9.80 12.85 110.05 -102.76 -66.72 134.22 87.48 3.22 9.30 17.29 13.32 56.78 2.69 6.29 0.01 1.72 1.90 3 G C T 62.02 1.11 11.50 12.93 97.53 18.31 82.06 -2.23 91.57 1.20 7.23 13.09 15.31 63.15 1.38 5.79 0.00 0.71 0.56 4 I C S 93.45 5.72 9.89 17.26 101.44 90.61 -86.68 -21.05 84.00 7.57 8.43 30.94 31.65 22.03 1.96 5.90 0.03 3.35 4.14 5 H C C 88.09 8.49 9.77 19.65 118.18 48.51 -112.10 127.55 89.72 7.79 2.49 50.45 33.63 5.71 0.60 2.08 0.00 4.24 3.29 6 P C C 75.48 5.76 13.08 20.41 111.41 -107.69 -70.30 150.66 92.30 3.17 4.53 40.87 15.99 34.92 0.40 4.99 0.00 2.23 0.61 7 E C C 128.59 3.85 15.40 20.32 107.31 -109.91 -82.68 100.97 83.86 10.99 5.14 36.04 16.62 31.05 0.40 5.56 0.00 9.33 0.99 8 Y C C 88.95 12.96 11.08 24.30 123.84 118.87 -111.10 145.31 56.68 42.47 0.85 46.78 8.02 1.52 0.16 0.81 0.00 40.01 2.70 9 H E E 85.18 8.11 16.55 25.87 124.75 -160.75 -118.81 143.53 30.81 69.10 0.09 26.80 3.33 0.27 0.02 0.08 0.00 68.58 0.93 10 Q E E 97.36 7.71 18.32 26.86 115.08 -114.84 -79.92 134.58 17.13 82.85 0.02 15.44 1.05 0.05 0.00 0.01 0.00 83.23 0.21 11 V E E 21.79 17.07 14.33 32.11 128.86 -171.27 -126.86 146.95 4.07 95.93 0.00 3.87 0.09 0.00 0.00 0.00 0.00 95.99 0.04 12 I E E 54.67 9.14 20.76 31.35 117.43 -140.35 -103.88 128.65 0.54 99.46 0.00 0.52 0.00 0.00 0.00 0.00 0.00 99.47 0.00 13 F E E 32.60 16.77 16.97 34.38 124.63 -169.90 -117.45 138.88 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 14 L E E 57.44 8.75 19.23 29.49 118.82 -155.11 -111.95 127.72 0.59 99.41 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.39 0.03 15 D E E 25.51 12.70 12.41 27.11 109.20 -137.43 -85.08 117.98 28.71 71.25 0.03 27.05 0.83 0.11 0.00 0.03 0.00 71.47 0.51 16 T C T 82.34 5.38 14.53 21.70 93.67 -158.31 -71.83 -22.67 98.75 0.22 1.03 0.52 5.05 93.15 0.03 1.08 0.00 0.15 0.03 17 T C T 101.22 2.03 14.41 16.42 97.62 49.20 -78.69 -37.92 98.79 0.10 1.11 0.27 4.27 94.27 0.02 1.10 0.00 0.05 0.03 18 T C T 72.89 4.30 12.54 18.09 102.07 22.87 -105.81 -11.65 98.78 0.24 0.98 1.51 6.60 90.54 0.04 1.09 0.00 0.16 0.05 19 N C C 114.24 3.46 13.52 18.74 94.33 -126.25 64.71 25.01 98.21 1.56 0.24 70.74 6.32 21.11 0.04 0.21 0.00 1.29 0.29 20 F C C 85.48 7.48 12.91 22.37 118.41 149.29 -81.85 142.48 76.53 23.43 0.04 75.08 1.15 0.13 0.00 0.03 0.00 23.22 0.38 21 K E E 111.84 8.78 15.06 25.56 125.22 -161.30 -122.15 139.71 1.02 98.98 0.01 0.96 0.07 0.01 0.00 0.00 0.00 98.91 0.05 22 F E E 64.80 12.26 16.00 29.39 130.56 -175.23 -132.73 144.98 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 23 L E E 84.98 9.06 18.47 28.31 117.30 -127.95 -93.37 132.12 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 24 S E E 31.52 14.85 15.59 30.54 131.46 -170.03 -131.10 156.82 5.04 94.96 0.00 4.29 0.33 0.02 0.00 0.00 0.00 95.29 0.06 25 G E E 29.14 8.78 21.07 30.23 131.73 23.52 141.29 172.27 12.06 87.93 0.02 9.09 2.69 0.15 0.00 0.02 0.00 87.82 0.24 26 S E E 34.30 15.20 14.96 29.95 124.19 -107.54 -105.90 156.05 23.57 76.35 0.09 20.57 2.39 0.25 0.02 0.08 0.00 74.68 2.01 27 T C C 57.20 9.88 16.14 27.00 110.36 -135.15 -93.22 110.46 69.49 29.99 0.52 41.78 26.32 2.69 0.11 0.51 0.00 25.76 2.82 28 K C S 118.76 7.01 15.37 23.39 106.89 -115.42 -90.78 89.80 86.92 12.04 1.04 21.52 53.81 11.79 0.14 0.97 0.00 10.25 1.53 29 T C C 99.04 3.09 16.05 20.13 114.25 -79.38 -100.31 126.00 92.61 6.43 0.96 56.96 23.56 12.12 0.14 1.04 0.00 4.89 1.29 30 S C C 38.97 12.91 9.11 22.13 123.42 -150.87 -108.24 150.21 90.51 8.14 1.35 69.66 15.25 5.45 0.25 1.32 0.00 5.83 2.23 31 S C C 91.21 1.88 15.72 17.97 99.43 -147.52 -91.96 3.42 89.26 9.98 0.76 59.05 25.68 4.55 0.10 0.78 0.00 8.87 0.97 32 E C C 94.47 6.59 12.65 20.90 119.97 106.47 -91.31 144.26 69.13 30.33 0.55 48.04 18.22 2.21 0.06 0.57 0.00 30.09 0.80 33 M E E 102.02 7.23 12.74 21.69 123.25 -153.27 -111.67 140.23 18.43 81.50 0.07 16.89 1.04 0.11 0.01 0.05 0.00 81.47 0.43 34 M E E 62.21 9.74 11.53 23.07 124.48 -161.83 -119.07 142.91 1.95 98.04 0.01 1.79 0.09 0.01 0.00 0.00 0.00 98.00 0.10 35 E E E 128.50 2.99 13.06 17.59 116.13 -133.65 -99.09 129.52 2.06 97.93 0.01 2.03 0.06 0.01 0.00 0.00 0.00 97.31 0.58 36 W C C 83.09 9.18 7.22 17.64 122.28 -143.96 -86.15 165.86 82.70 17.22 0.08 82.23 0.55 0.13 0.01 0.04 0.00 15.93 1.11 37 E C T 164.65 0.95 9.68 11.14 91.73 -97.80 -62.35 -25.92 94.85 3.55 1.60 1.47 4.93 88.64 0.05 1.60 0.00 3.01 0.29 38 D C T 119.44 0.83 9.66 10.51 93.15 54.16 -86.40 2.86 98.33 0.21 1.46 0.53 3.68 94.02 0.03 1.58 0.00 0.12 0.04 39 G C S 53.67 1.79 10.55 13.42 97.27 -101.63 87.18 5.67 97.80 0.52 1.69 11.22 78.56 8.02 0.10 1.63 0.00 0.30 0.17 40 K C C 106.20 3.70 10.35 16.16 118.48 134.32 -82.39 144.90 95.04 4.93 0.03 93.41 1.76 0.18 0.01 0.02 0.00 4.32 0.30 41 E E E 119.46 4.69 12.68 19.46 118.42 -133.04 -101.45 133.20 1.54 98.45 0.00 1.54 0.07 0.00 0.00 0.00 0.00 97.47 0.91 42 Y E E 64.15 12.42 11.71 25.32 123.87 -172.79 -121.66 137.37 1.86 98.13 0.00 1.77 0.05 0.00 0.00 0.00 0.00 98.13 0.04 43 P E E 58.26 6.73 17.46 25.40 115.13 -110.18 -68.65 146.55 7.01 92.99 0.01 6.48 0.29 0.02 0.00 0.00 0.00 93.05 0.14 44 V E E 53.81 12.69 14.11 27.68 118.41 -141.26 -105.61 133.18 18.30 81.65 0.05 15.27 2.30 0.15 0.01 0.04 0.00 81.87 0.36 45 I E E 52.59 11.77 14.76 28.02 119.17 -157.05 -110.16 129.84 6.04 93.92 0.03 5.58 0.30 0.03 0.01 0.01 0.00 93.68 0.37 46 R E E 139.83 5.39 18.06 24.97 115.23 -150.81 -99.97 126.06 5.87 94.09 0.04 5.63 0.20 0.03 0.01 0.01 0.00 93.60 0.51 47 L E E 49.53 14.98 11.32 26.56 122.04 -167.73 -112.47 134.76 21.28 78.62 0.11 20.53 0.70 0.10 0.04 0.06 0.00 77.83 0.73 48 D E E 97.92 3.25 18.46 22.16 105.77 -141.97 -88.58 88.65 45.98 53.79 0.23 30.13 15.49 0.98 0.06 0.19 0.00 52.10 1.07 49 I C C 61.07 12.33 11.77 24.77 125.26 61.39 -118.05 139.85 61.34 38.24 0.42 46.55 14.03 0.85 0.17 0.32 0.00 33.01 5.06 50 S C C 44.40 6.03 16.56 23.82 125.90 -155.02 -103.60 162.57 85.70 13.96 0.34 83.61 2.18 0.37 0.13 0.18 0.00 10.33 3.19 51 S C T 65.61 8.16 12.56 22.07 91.51 -107.85 -61.67 -28.50 69.22 0.80 29.98 3.20 6.68 57.92 1.98 29.38 0.00 0.48 0.35 52 D C T 113.63 1.83 16.66 18.60 92.14 62.91 -73.28 -17.38 72.38 0.24 27.38 0.99 4.19 67.06 1.36 26.16 0.00 0.13 0.10 53 S C T 46.03 8.91 13.22 23.45 98.12 47.70 -98.65 -2.69 67.20 1.55 31.24 6.28 11.78 48.38 1.98 29.92 0.01 0.85 0.81 54 H C C 50.03 12.05 10.50 23.74 116.90 100.01 -84.96 134.18 95.37 1.81 2.82 66.49 27.21 1.26 2.20 0.64 0.00 0.48 1.72 55 P H T 77.96 4.84 14.36 20.86 92.82 -137.65 -62.39 -28.28 41.94 0.33 57.73 3.39 3.69 32.19 30.68 29.57 0.05 0.18 0.25 56 F H H 116.46 5.10 13.08 19.54 93.65 59.12 -71.16 -28.82 38.54 0.82 60.64 2.93 3.64 29.07 33.11 30.06 0.24 0.48 0.48 57 Y H H 117.16 6.66 11.19 19.24 95.98 51.95 -78.39 -23.80 34.80 3.09 62.11 7.02 6.40 20.04 32.80 30.02 0.63 1.86 1.24 58 T C H 83.60 3.56 11.81 16.53 99.22 47.71 -90.73 -8.58 51.26 4.97 43.77 11.21 12.46 27.66 29.21 13.24 0.95 2.71 2.56 59 G C T 54.31 2.80 11.35 15.65 98.45 -108.41 78.91 4.00 79.51 2.53 17.96 19.14 23.74 37.67 10.03 6.84 0.06 1.29 1.23 60 R C C 167.77 1.78 11.91 14.48 101.41 99.49 -88.86 -8.02 75.56 4.20 20.23 38.64 21.03 16.37 12.06 7.86 0.03 2.30 1.71 61 Q C C 102.18 6.54 9.26 17.38 114.91 86.24 -96.64 130.61 69.78 6.68 23.54 48.26 13.01 8.36 16.02 7.85 0.02 4.43 2.04 62 K C C 145.48 2.89 11.94 16.34 112.51 -165.17 -98.82 119.38 62.80 11.74 25.46 44.54 10.93 7.14 18.62 7.20 0.03 8.90 2.63 63 F C C 121.65 6.27 9.65 17.48 119.30 -135.62 -104.02 135.97 49.20 22.60 28.20 34.72 8.38 6.12 21.65 6.76 0.16 17.59 4.60 64 A C C 69.35 4.55 10.43 16.72 116.79 -150.26 -97.17 135.37 47.89 23.86 28.25 31.84 9.51 6.82 21.93 6.51 0.19 19.58 3.63 65 A C C 70.43 4.60 9.63 15.93 114.14 -148.54 -96.31 135.00 52.22 21.74 26.04 33.86 10.21 8.53 19.22 6.88 0.14 17.99 3.17 66 A C T 76.57 3.34 8.74 13.79 109.16 -144.77 -93.35 117.92 56.24 13.96 29.80 21.62 13.98 21.98 19.78 8.97 0.43 10.13 3.11 67 D C T 124.52 1.20 10.72 12.26 100.62 -0.19 -65.70 36.33 74.98 2.19 22.83 12.10 15.50 46.90 14.08 9.00 0.07 1.37 0.98 68 G C T 53.13 3.04 10.26 14.81 100.23 -65.06 81.34 2.14 75.84 5.68 18.48 19.35 22.07 35.65 8.75 8.61 0.07 3.99 1.51 69 R C C 138.84 3.61 10.17 15.51 113.24 115.68 -93.34 131.09 52.11 27.74 20.16 30.66 12.36 9.92 12.11 8.21 0.31 19.81 6.63 70 V C C 85.78 5.99 8.34 15.85 111.47 -143.49 -92.96 129.91 41.06 30.26 28.68 25.61 8.82 8.95 13.74 14.53 0.29 23.02 5.05 71 E C C 131.30 3.05 9.80 14.40 108.25 -149.68 -88.13 116.08 49.47 21.86 28.67 26.48 11.59 14.12 9.79 17.19 0.11 18.47 2.25 72 R C C 166.57 2.51 9.51 13.66 109.62 -142.87 -90.59 112.06 60.93 14.37 24.70 43.27 4.66 14.46 8.84 14.21 0.02 12.05 2.49 73 F C C 123.13 6.82 10.09 18.17 108.63 -144.06 -89.99 100.05 99.38 0.40 0.22 99.18 0.19 0.18 0.13 0.02 0.00 0.25 0.05