# 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 122.09 4.40 11.89 17.84 116.89 -156.04 -98.12 134.36 99.89 0.10 0.01 99.85 0.07 0.02 0.00 0.00 0.00 0.05 0.01 1 S C C 76.26 4.29 9.07 15.16 115.05 -130.78 -86.59 136.79 86.29 3.67 10.04 81.88 1.18 4.37 6.54 2.30 0.00 2.27 1.46 2 T C C 99.45 3.14 9.01 13.87 106.42 -150.80 -88.44 65.51 74.82 5.47 19.71 52.26 11.65 10.60 11.91 8.13 0.01 3.41 2.03 3 F C C 131.88 5.04 9.45 15.99 109.23 73.06 -91.29 104.47 68.29 6.49 25.23 46.02 11.03 10.87 15.35 10.34 0.02 4.11 2.27 4 K C C 127.10 4.67 11.15 17.37 107.91 107.08 -89.04 94.28 67.66 4.12 28.22 43.80 12.44 11.11 18.60 10.02 0.02 2.36 1.64 5 D C C 91.77 5.14 11.62 18.19 104.47 66.67 -87.43 39.11 66.53 2.71 30.76 43.86 11.84 10.51 22.11 9.02 0.01 1.41 1.23 6 S C C 62.02 6.65 11.40 19.38 101.57 78.43 -79.54 -2.72 55.92 2.69 41.39 30.64 11.74 14.08 27.26 13.60 0.06 1.34 1.27 7 N C C 96.62 5.07 12.99 19.33 97.68 81.48 -76.23 -8.15 54.31 2.88 42.81 31.19 9.10 14.04 24.24 18.55 0.03 1.56 1.29 8 L C C 84.72 8.22 12.13 21.29 97.04 75.14 -75.84 -20.52 55.95 3.34 40.71 22.98 11.96 21.85 21.15 18.53 0.14 1.67 1.73 9 L C T 91.37 7.28 13.41 21.59 98.29 62.61 -81.91 -15.03 63.12 4.51 32.37 20.34 19.95 24.47 16.88 13.48 0.32 2.12 2.44 10 F C S 129.06 4.30 14.91 20.46 110.41 41.62 -115.20 91.76 97.82 1.52 0.66 29.68 67.60 0.82 0.34 0.19 0.00 0.49 0.89 11 P C C 42.88 13.28 8.69 22.32 118.34 -153.72 -71.95 151.19 99.52 0.40 0.07 95.23 4.21 0.14 0.04 0.02 0.00 0.14 0.21 12 P C C 74.43 2.80 14.19 17.77 115.50 -103.37 -66.34 155.87 98.95 0.55 0.49 98.19 0.74 0.15 0.36 0.04 0.00 0.13 0.37 13 E H H 148.04 1.47 12.13 14.30 91.87 -103.24 -58.05 -38.90 3.34 0.02 96.64 0.97 0.57 1.65 95.89 0.90 0.00 0.00 0.00 14 A H H 71.26 1.48 13.45 14.69 92.00 52.88 -64.52 -39.33 2.07 0.01 97.92 0.49 0.21 1.23 96.97 1.08 0.00 0.01 0.00 15 S H H 39.07 6.30 11.65 20.01 92.22 49.68 -65.94 -39.52 1.20 0.02 98.78 0.40 0.13 0.62 97.76 1.08 0.00 0.01 0.00 16 E H H 90.19 4.51 13.67 19.70 91.97 52.14 -63.99 -41.20 0.60 0.00 99.39 0.19 0.05 0.28 99.20 0.27 0.00 0.00 0.00 17 K H H 123.30 1.47 16.68 17.13 91.87 50.03 -64.56 -41.19 0.69 0.00 99.30 0.16 0.04 0.38 99.25 0.18 0.00 0.00 0.00 18 R H H 115.61 4.23 16.13 21.21 92.12 49.43 -65.44 -40.81 0.99 0.00 99.00 0.19 0.06 0.58 98.96 0.20 0.00 0.00 0.00 19 K H H 83.94 8.95 15.02 24.92 91.94 51.13 -64.45 -40.89 1.56 0.01 98.43 0.36 0.12 0.87 98.34 0.31 0.00 0.00 0.00 20 H H H 100.06 2.94 17.90 20.97 91.78 50.40 -64.53 -40.85 3.34 0.02 96.64 0.80 0.25 1.96 96.36 0.61 0.00 0.01 0.01 21 K H H 108.99 2.84 18.66 21.33 91.83 50.23 -64.72 -41.10 4.48 0.05 95.47 1.16 0.38 2.64 94.72 1.06 0.00 0.02 0.01 22 L H H 45.10 11.78 14.94 27.78 92.11 50.67 -64.82 -40.58 3.80 0.06 96.14 1.09 0.39 2.08 94.36 2.03 0.00 0.03 0.01 23 K H H 101.48 8.08 16.61 25.56 91.87 53.94 -64.34 -38.90 6.39 0.11 93.50 1.50 0.62 3.98 90.19 3.60 0.01 0.06 0.03 24 R H H 148.00 2.15 18.54 20.38 92.11 52.05 -66.54 -37.36 13.46 0.19 86.35 1.93 1.20 9.89 82.51 4.25 0.04 0.11 0.06 25 L H H 75.37 7.24 16.20 24.45 93.43 51.99 -70.38 -33.06 21.74 0.59 77.67 4.32 3.13 14.68 73.88 3.33 0.11 0.29 0.25 26 V H H 44.63 14.28 12.01 26.33 100.72 56.30 -83.66 -9.20 45.77 3.07 51.16 23.37 9.70 14.18 47.56 2.35 0.09 1.30 1.46 27 Q C C 122.66 3.68 14.83 19.83 100.70 78.08 -77.26 -8.42 73.10 2.67 24.23 41.07 11.25 19.09 23.44 2.70 0.02 1.31 1.13 28 G C S 39.53 4.37 14.14 19.66 124.31 64.34 -117.58 169.88 85.60 3.29 11.11 35.43 36.91 13.55 7.10 3.54 0.03 1.29 2.16 29 Q C T 135.63 2.95 13.82 18.02 98.01 -72.36 -72.93 -16.46 91.87 0.61 7.52 6.93 17.23 68.20 1.81 5.10 0.00 0.32 0.41 30 N C T 102.02 5.32 15.41 21.80 99.79 45.13 -91.77 15.36 94.96 1.28 3.76 11.54 16.51 66.89 0.56 3.25 0.00 0.86 0.39 31 S C C 29.24 14.43 13.11 28.15 121.27 115.50 -97.93 142.89 77.65 20.30 2.04 58.29 14.44 4.82 0.37 1.91 0.00 17.98 2.18 32 F C E 75.40 10.89 19.95 31.26 126.79 -169.94 -124.05 145.26 54.61 45.00 0.39 40.48 12.19 1.52 0.07 0.36 0.00 44.35 1.02 33 F E E 69.86 15.68 17.65 32.78 121.63 -139.68 -108.59 135.94 14.38 85.56 0.07 12.80 1.13 0.13 0.01 0.05 0.00 85.48 0.39 34 M E E 47.24 13.70 18.55 32.77 127.56 -173.32 -124.78 145.41 2.05 97.95 0.00 1.81 0.11 0.01 0.00 0.00 0.00 98.00 0.06 35 D E E 79.56 8.69 20.99 29.84 110.96 -122.97 -83.98 121.29 0.80 99.20 0.00 0.67 0.05 0.00 0.00 0.00 0.00 99.27 0.01 36 V E E 21.16 18.48 15.32 33.97 126.15 -176.28 -126.00 138.45 0.99 99.01 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.07 0.02 37 K E E 116.02 4.97 21.92 27.49 116.25 -136.10 -95.23 130.10 3.72 96.27 0.01 3.44 0.17 0.01 0.00 0.00 0.00 95.99 0.38 38 C C C 10.79 20.32 9.94 30.30 109.53 -133.15 -84.38 118.19 78.07 21.89 0.04 76.88 1.01 0.09 0.01 0.03 0.00 21.44 0.55 39 P C T 90.13 3.70 17.55 22.19 93.93 -150.20 -66.13 -27.31 94.06 0.47 5.47 1.35 6.82 84.85 0.10 6.46 0.00 0.31 0.11 40 S C T 73.79 3.85 15.92 20.49 98.60 41.90 -82.58 -33.83 94.06 0.21 5.73 0.46 4.95 88.09 0.08 6.24 0.00 0.11 0.06 41 C C T 51.00 8.33 13.44 23.19 104.75 20.95 -109.76 -10.85 93.84 1.00 5.16 3.25 12.81 76.45 0.12 6.43 0.00 0.69 0.26 42 W C C 157.31 6.31 15.61 23.19 95.55 -124.49 65.79 18.74 93.25 5.74 1.01 47.33 19.87 26.12 0.16 0.93 0.00 4.79 0.80 43 A C C 45.51 7.51 17.21 25.91 122.51 128.73 -95.41 150.61 59.08 40.76 0.16 47.87 9.30 0.91 0.03 0.14 0.00 40.80 0.95 44 I E E 60.08 13.69 16.72 30.79 116.98 -128.26 -98.06 129.73 5.43 94.56 0.01 5.04 0.27 0.02 0.00 0.00 0.00 94.45 0.20 45 T E E 29.87 14.28 18.57 33.48 126.73 -175.56 -121.89 147.39 0.77 99.23 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.31 0.01 46 I E E 50.64 13.42 21.24 35.02 119.21 -136.02 -106.44 130.64 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.01 47 V E E 17.37 18.46 19.14 37.87 120.65 -164.99 -112.31 129.97 1.09 98.90 0.00 0.96 0.03 0.00 0.00 0.00 0.00 98.98 0.02 48 F E E 52.23 13.21 20.38 34.21 119.19 -159.88 -108.28 131.28 7.27 92.67 0.06 6.19 0.56 0.10 0.02 0.03 0.00 92.90 0.21 49 S C E 30.97 14.11 16.42 30.86 123.40 -172.83 -117.16 149.64 49.68 48.17 2.14 26.41 15.54 8.70 0.30 1.72 0.00 46.58 0.74 50 H C C 116.77 6.84 18.50 25.74 100.50 -92.11 -87.41 8.78 78.30 18.23 3.47 31.01 27.53 20.44 0.45 3.00 0.01 16.27 1.30 51 V C C 60.46 9.91 15.08 25.97 119.34 87.02 -104.05 145.51 86.50 9.40 4.10 32.42 28.11 26.50 0.51 3.71 0.00 7.64 1.10 52 A C C 57.78 9.31 16.74 26.61 112.02 -122.18 -85.78 125.12 79.53 18.31 2.16 27.81 27.57 24.45 0.21 2.03 0.00 17.02 0.91 53 K E E 82.83 11.05 18.69 29.96 126.79 103.18 -114.94 142.99 39.03 60.13 0.84 23.38 12.80 3.42 0.13 0.76 0.00 58.80 0.70 54 V E E 38.74 13.92 20.74 35.09 119.27 -131.87 -103.60 133.13 8.01 91.96 0.03 7.27 0.43 0.04 0.01 0.02 0.00 92.03 0.20 55 V E E 9.04 21.45 19.26 41.04 119.20 -157.39 -108.67 128.58 1.09 98.90 0.01 0.96 0.05 0.00 0.00 0.00 0.00 98.94 0.04 56 V E E 39.10 11.08 24.20 36.06 121.84 -162.71 -114.36 134.45 1.22 98.78 0.00 1.15 0.06 0.00 0.00 0.00 0.00 98.56 0.23 57 C E E 7.71 20.58 13.35 34.94 110.12 -118.55 -72.73 126.87 46.40 53.57 0.04 45.68 0.56 0.07 0.01 0.02 0.00 52.87 0.79 58 S C T 59.35 7.26 18.67 27.01 93.70 -143.28 -67.60 -28.31 98.66 0.50 0.84 0.61 4.98 93.11 0.02 0.84 0.00 0.36 0.08 59 S C T 73.88 3.69 17.50 21.97 98.27 43.83 -81.22 -37.87 99.12 0.15 0.73 0.23 3.53 95.45 0.01 0.65 0.00 0.09 0.03 60 C C T 59.63 7.29 14.08 22.73 102.77 18.24 -108.65 -9.52 99.20 0.25 0.55 1.09 5.43 92.64 0.02 0.59 0.00 0.17 0.04 61 N C C 111.31 4.71 16.47 22.78 94.03 -127.03 68.26 16.96 98.39 1.34 0.27 75.12 6.48 16.70 0.05 0.23 0.00 1.15 0.26 62 T C C 56.41 8.01 17.66 27.03 118.53 141.17 -83.48 142.31 71.50 28.43 0.07 65.91 4.96 0.27 0.01 0.06 0.00 26.76 2.02 63 V E E 57.15 13.23 19.19 32.69 109.95 -117.44 -79.03 124.18 1.17 98.83 0.00 1.25 0.04 0.00 0.00 0.00 0.00 98.03 0.67 64 L E E 16.88 19.70 19.78 39.65 99.41 176.47 -93.22 -27.67 2.49 97.50 0.01 1.62 0.67 0.04 0.00 0.00 0.00 97.65 0.02 65 A E E 6.23 21.48 17.71 39.65 140.18 6.61 -150.45 152.44 0.44 99.56 0.00 0.37 0.03 0.00 0.00 0.00 0.00 99.59 0.01 66 Q E E 86.39 6.91 24.29 31.88 126.69 -162.58 -129.42 140.20 0.72 99.28 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.33 0.01 67 P E E 47.72 16.98 12.01 28.37 113.23 -111.57 -70.51 137.37 3.67 96.32 0.00 3.30 0.12 0.01 0.00 0.00 0.00 96.51 0.06 68 T E E 77.52 4.66 14.37 20.91 121.25 175.57 -136.10 123.09 14.54 85.26 0.20 10.79 3.47 0.88 0.05 0.20 0.00 82.64 1.98 69 G C T 67.56 0.59 14.54 13.36 94.44 -13.86 58.70 33.11 99.00 0.43 0.57 0.60 11.40 86.96 0.01 0.67 0.00 0.30 0.06 70 G C T 51.61 5.17 13.24 19.61 95.76 -48.25 82.20 1.84 99.22 0.17 0.61 0.79 12.31 86.04 0.01 0.70 0.00 0.12 0.03 71 K E E 114.46 3.71 18.32 23.26 128.08 94.71 -119.10 146.76 12.79 87.12 0.10 8.54 4.55 0.61 0.02 0.08 0.00 84.76 1.44 72 A E E 20.88 20.54 11.73 31.68 115.66 -120.13 -80.15 135.68 6.76 93.23 0.01 6.16 0.29 0.03 0.00 0.01 0.00 93.38 0.13 73 K E E 99.24 5.49 23.43 29.49 127.42 -169.93 -126.06 142.22 4.31 95.67 0.02 3.89 0.26 0.03 0.00 0.01 0.00 95.65 0.16 74 L E E 57.78 17.40 13.53 30.23 112.70 -114.03 -75.80 132.61 10.47 89.42 0.11 10.09 0.46 0.08 0.06 0.05 0.00 87.03 2.23 75 T C C 55.87 9.85 15.56 26.43 114.37 -148.88 -93.92 151.34 75.88 20.40 3.71 62.43 7.54 4.72 0.46 3.89 0.00 19.99 0.97 76 E C T 147.37 2.14 16.66 19.25 111.32 -70.11 -69.88 135.48 77.38 17.91 4.71 9.64 18.33 50.28 0.40 4.65 0.01 15.27 1.42 77 G C T 54.39 2.70 17.03 20.00 97.83 20.00 84.19 -0.16 83.55 12.53 3.92 18.44 17.93 47.43 0.31 4.07 0.00 11.01 0.81 78 C C C 30.16 18.52 9.70 27.10 115.94 131.08 -83.96 136.71 79.62 18.90 1.48 66.70 9.83 2.26 0.33 1.34 0.00 17.02 2.52 79 S C C 61.59 5.78 19.75 26.12 121.32 -165.41 -113.34 142.93 64.10 34.90 1.01 51.12 9.75 2.41 0.28 0.88 0.00 31.07 4.48 80 F C C 83.99 15.64 12.69 27.71 123.31 -162.37 -115.24 139.86 55.95 43.18 0.87 44.01 9.39 2.35 0.20 0.80 0.00 40.63 2.62 81 R E E 129.86 5.67 15.84 23.02 124.91 -166.66 -115.68 142.08 43.37 56.04 0.58 38.21 3.40 0.87 0.23 0.44 0.00 50.65 6.20 82 K C C 126.10 6.79 11.92 20.52 117.34 -135.26 -93.43 138.05 52.34 47.18 0.48 45.86 3.80 0.69 0.23 0.33 0.00 38.06 11.03 83 K C C 118.08 6.36 9.07 17.13 115.60 -120.95 -84.66 139.91 91.10 8.57 0.33 78.92 10.75 1.22 0.09 0.29 0.00 7.62 1.13 84 P C C 109.58 2.10 9.49 13.18 110.03 -108.42 -73.05 144.19 97.43 1.94 0.62 91.51 2.38 3.61 0.13 0.44 0.00 1.54 0.38 85 E C C 149.03 2.23 10.64 14.37 105.95 -101.73 -81.68 95.46 99.91 0.06 0.03 99.64 0.16 0.14 0.01 0.01 0.00 0.03 0.01