# 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 124.39 3.99 12.39 18.00 117.18 -154.82 -100.19 132.40 99.85 0.15 0.00 99.86 0.04 0.01 0.00 0.00 0.00 0.08 0.01 1 V C C 103.75 4.35 9.38 15.83 117.15 -149.23 -99.36 130.89 88.69 10.86 0.44 88.20 0.88 0.58 0.24 0.12 0.00 4.88 5.10 2 L C C 94.24 5.87 8.79 16.51 117.35 -141.61 -94.58 135.07 92.00 6.69 1.31 77.75 12.76 1.48 0.75 0.58 0.00 4.42 2.26 3 P C C 92.02 3.51 12.23 17.21 112.15 -110.15 -68.27 148.56 83.66 4.85 11.49 62.27 9.47 11.83 6.52 4.96 0.00 3.56 1.39 4 N C C 99.93 6.04 10.67 18.11 107.24 -117.26 -83.78 104.22 77.04 3.87 19.09 47.78 15.02 14.18 12.31 7.00 0.01 2.00 1.70 5 D C C 86.03 5.79 12.82 19.91 101.13 -153.04 -84.88 13.18 65.87 3.40 30.73 48.90 9.49 7.22 23.20 7.96 0.01 1.82 1.40 6 V H H 63.12 8.92 11.49 21.64 100.67 98.53 -77.73 -22.71 35.69 3.67 60.64 23.20 6.68 7.46 44.09 15.12 0.06 2.26 1.12 7 D H H 84.76 5.36 13.36 20.08 96.80 67.94 -71.54 -17.79 29.48 2.96 67.56 17.05 4.65 8.23 44.27 22.92 0.06 2.06 0.76 8 L H H 96.46 5.98 13.13 20.41 94.65 62.28 -73.70 -22.84 31.50 1.79 66.71 9.70 5.80 15.33 44.55 22.62 0.24 1.11 0.65 9 L H H 86.40 7.42 13.04 21.57 97.44 53.17 -86.59 -10.45 44.41 1.96 53.62 9.25 12.83 23.98 38.07 13.20 0.54 0.90 1.23 10 N C S 101.15 4.28 14.45 20.06 108.54 42.06 -109.17 84.79 98.64 0.99 0.37 30.83 67.28 0.69 0.22 0.09 0.00 0.29 0.60 11 P C C 44.97 11.69 8.73 21.32 118.70 -155.26 -72.58 151.75 99.41 0.48 0.11 93.92 5.34 0.19 0.07 0.03 0.00 0.17 0.29 12 P C C 72.69 2.82 13.97 17.63 114.46 -102.34 -64.39 152.46 98.82 0.49 0.69 97.93 0.77 0.20 0.57 0.05 0.00 0.11 0.37 13 A H H 80.17 2.31 10.95 14.64 92.74 -107.88 -58.18 -38.59 5.00 0.04 94.96 1.50 0.97 2.61 93.06 1.81 0.01 0.02 0.02 14 E H H 133.60 1.04 12.86 13.29 92.10 52.68 -65.62 -39.46 3.58 0.11 96.31 1.10 0.51 2.15 93.89 2.25 0.01 0.07 0.02 15 H H H 91.67 3.70 11.76 17.03 92.89 48.80 -67.18 -39.24 2.38 0.14 97.48 0.97 0.35 1.22 94.86 2.46 0.01 0.12 0.02 16 E H H 82.92 5.17 11.53 18.61 92.39 52.04 -64.45 -40.69 2.64 0.12 97.24 1.14 0.39 1.26 95.90 1.20 0.01 0.07 0.02 17 K H H 125.96 1.77 14.41 16.19 92.16 50.90 -65.47 -39.58 6.60 0.15 93.25 1.67 0.65 4.19 91.84 1.52 0.02 0.09 0.04 18 K H H 119.87 2.44 14.48 17.40 93.12 49.86 -68.05 -38.05 13.47 0.15 86.37 2.49 1.22 9.22 85.24 1.68 0.02 0.07 0.05 19 K H H 105.42 5.60 13.92 20.80 93.42 52.77 -67.56 -36.36 27.92 0.50 71.58 9.66 4.04 14.03 69.44 2.37 0.02 0.22 0.23 20 H H H 95.22 5.51 14.19 21.07 95.13 55.78 -70.54 -33.71 47.95 2.03 50.02 25.50 6.86 15.27 47.09 3.48 0.02 1.05 0.72 21 K C H 112.75 3.92 16.43 21.06 96.13 59.17 -69.03 -34.86 50.55 3.61 45.84 33.39 5.43 11.18 41.76 4.96 0.02 2.13 1.13 22 L H H 66.97 10.60 13.35 24.69 95.64 64.44 -68.74 -35.44 31.28 4.16 64.56 19.15 4.82 7.79 49.57 14.81 0.04 2.91 0.91 23 K H H 115.39 5.89 16.18 23.12 95.53 61.79 -68.61 -33.47 29.61 4.86 65.54 14.04 5.09 10.50 47.93 17.72 0.09 3.73 0.91 24 R H H 130.00 4.63 17.10 22.47 97.31 55.94 -74.58 -26.95 31.91 7.60 60.50 14.15 5.92 12.21 42.88 17.39 0.18 5.99 1.29 25 L H H 59.81 11.69 14.41 26.64 98.88 62.59 -77.53 -24.76 39.70 13.00 47.30 22.18 9.43 10.86 36.26 8.98 0.30 8.49 3.51 26 V C C 60.43 11.42 13.11 25.10 104.50 69.63 -84.61 35.58 60.18 9.61 30.20 35.52 11.50 13.55 25.37 5.02 0.10 6.39 2.54 27 Q C C 121.14 3.84 15.45 20.31 99.37 67.11 -82.11 -5.43 78.68 4.87 16.45 41.99 18.00 18.82 11.69 4.88 0.03 2.99 1.60 28 S C C 45.65 7.52 12.19 21.49 120.87 78.71 -110.33 138.88 95.94 2.68 1.38 56.06 37.44 2.48 0.70 0.57 0.00 1.08 1.68 29 P C T 97.78 4.30 13.37 19.25 95.87 -123.05 -66.58 -16.84 96.29 0.42 3.29 8.90 10.86 76.40 0.48 2.90 0.00 0.25 0.21 30 N C T 108.16 4.19 15.03 20.36 98.29 52.38 -89.50 8.94 96.62 0.88 2.50 9.18 10.76 76.52 0.31 2.36 0.00 0.61 0.26 31 S C C 33.11 13.60 12.16 26.40 118.41 105.98 -98.37 142.07 82.69 14.28 3.03 59.71 16.07 6.67 0.58 2.84 0.00 11.27 2.86 32 F C C 95.64 9.35 18.58 28.43 123.77 -169.98 -115.65 140.11 73.32 25.74 0.94 44.97 24.47 4.23 0.18 0.85 0.00 23.74 1.55 33 F E E 73.89 15.04 16.38 31.06 120.67 -136.48 -105.93 134.43 29.88 69.67 0.45 23.71 5.26 1.16 0.10 0.37 0.00 68.38 1.01 34 M E E 55.43 13.06 18.04 31.56 122.12 -170.14 -121.03 142.63 9.59 90.27 0.14 7.71 1.58 0.26 0.03 0.10 0.00 90.04 0.29 35 D E E 79.74 8.86 20.80 29.69 109.08 -120.15 -90.12 102.22 3.82 96.10 0.08 3.12 0.48 0.11 0.02 0.05 0.00 96.12 0.11 36 V E E 24.63 18.30 15.30 33.74 123.28 -175.47 -117.46 133.34 5.24 94.70 0.06 4.84 0.24 0.04 0.02 0.03 0.00 94.64 0.20 37 K E E 118.51 5.56 21.68 28.23 118.53 -150.76 -100.68 131.75 15.25 84.61 0.13 13.70 1.07 0.16 0.04 0.08 0.00 83.69 1.26 38 C C C 15.81 20.50 10.71 30.56 115.74 -141.63 -92.01 132.14 79.90 19.96 0.14 76.08 2.74 0.38 0.03 0.12 0.00 19.48 1.19 39 Q C T 127.92 3.13 18.10 21.94 108.14 -99.46 -62.07 128.70 95.68 2.23 2.10 1.61 12.98 80.99 0.08 2.33 0.00 1.69 0.33 40 G C T 53.03 3.20 16.93 20.67 95.53 15.06 86.22 -2.68 96.93 1.34 1.73 1.04 13.32 82.50 0.04 1.97 0.00 0.98 0.16 41 C C C 25.98 17.42 9.51 26.29 125.63 91.94 -120.30 147.65 64.25 34.24 1.50 41.11 19.41 5.08 0.24 1.66 0.01 26.78 5.72 42 F C E 138.54 3.56 17.77 21.99 97.65 -152.56 -81.09 -24.25 61.56 38.00 0.44 15.95 34.94 11.63 0.04 0.48 0.00 35.51 1.45 43 N C E 86.97 5.97 19.11 25.69 114.62 41.22 -114.61 109.20 57.90 41.79 0.31 17.48 28.95 11.04 0.02 0.33 0.00 41.63 0.55 44 I E E 43.73 18.05 13.88 31.37 119.02 -162.85 -106.17 130.14 29.01 70.95 0.04 26.07 1.64 0.13 0.00 0.03 0.00 71.82 0.31 45 T E E 43.70 10.54 21.56 32.77 124.33 -173.01 -120.57 140.34 3.52 96.48 0.01 3.19 0.16 0.01 0.00 0.00 0.00 96.55 0.08 46 T E E 36.33 15.63 19.64 35.27 120.98 -148.22 -108.58 132.98 0.62 99.37 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.39 0.01 47 V E E 28.13 14.98 20.43 36.02 119.87 -165.28 -114.71 128.34 0.66 99.34 0.00 0.56 0.03 0.00 0.00 0.00 0.00 99.39 0.01 48 F E E 54.34 13.84 18.86 33.19 120.89 -161.78 -112.48 131.43 2.33 97.65 0.02 1.89 0.20 0.03 0.00 0.01 0.00 97.78 0.08 49 S E E 37.17 11.38 16.05 28.38 124.29 -175.31 -120.53 147.37 24.01 75.63 0.36 17.75 4.52 1.42 0.05 0.30 0.00 75.56 0.41 50 H C C 118.86 5.75 16.61 23.03 104.24 -87.35 -77.26 -19.40 75.63 22.40 1.97 28.60 21.40 25.77 0.18 1.89 0.00 21.19 0.97 51 S C T 71.70 5.40 16.16 22.17 100.13 -22.55 -82.13 -6.46 96.74 1.71 1.55 14.74 36.42 45.41 0.10 1.74 0.00 1.30 0.28 52 Q C T 80.70 8.85 16.82 26.34 126.12 39.75 -121.04 147.04 83.92 14.80 1.28 17.86 32.84 33.11 0.07 1.36 0.00 14.15 0.60 53 T E E 38.25 14.01 17.46 32.08 119.60 -138.52 -107.16 132.17 20.21 79.66 0.14 15.69 3.09 0.75 0.02 0.13 0.00 80.04 0.28 54 V E E 26.97 14.35 21.30 36.53 121.66 -163.44 -113.98 132.67 2.01 97.98 0.00 1.84 0.07 0.01 0.00 0.00 0.00 98.03 0.05 55 V E E 11.02 20.03 21.04 41.41 118.49 -160.43 -111.06 127.33 0.28 99.72 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 56 V E E 31.81 12.34 24.11 37.29 122.67 -165.99 -116.34 133.95 0.86 99.13 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.05 0.08 57 C E E 9.42 19.61 14.63 35.09 111.64 -126.31 -75.76 130.90 43.13 56.79 0.08 40.97 0.99 0.14 0.01 0.05 0.00 57.25 0.59 58 G C T 37.44 7.58 19.01 27.46 94.12 -135.80 -65.19 -30.92 95.28 1.47 3.26 2.42 11.66 80.50 0.09 3.91 0.00 1.15 0.27 59 N C T 105.86 3.36 18.80 22.58 98.02 42.77 -87.59 -17.02 96.34 0.69 2.97 1.25 10.23 84.29 0.07 3.50 0.00 0.48 0.18 60 C C T 47.46 12.54 13.48 26.12 102.35 18.73 -108.99 4.66 92.93 3.34 3.73 12.69 25.37 54.32 0.17 4.53 0.00 2.15 0.77 61 Q C C 126.25 4.33 18.78 24.16 95.16 -131.96 58.29 9.86 94.48 4.74 0.78 42.97 31.42 19.78 0.10 0.84 0.00 4.32 0.56 62 T C C 54.10 9.30 19.22 29.42 122.99 129.20 -99.03 143.24 58.13 41.58 0.29 41.34 14.69 1.86 0.04 0.30 0.00 40.59 1.17 63 V E E 41.93 16.01 18.74 34.84 111.50 -124.07 -85.22 124.38 3.61 96.36 0.03 3.51 0.18 0.03 0.01 0.02 0.00 95.74 0.52 64 L E E 22.26 18.14 21.29 39.34 99.33 -170.53 -91.69 -24.38 2.84 97.16 0.01 2.25 0.40 0.01 0.00 0.00 0.00 97.30 0.03 65 C E E 10.10 20.89 17.11 38.06 137.46 13.82 -144.92 152.28 0.75 99.24 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.28 0.02 66 Q E E 88.77 6.50 23.31 30.42 124.26 -152.67 -117.76 137.89 1.19 98.81 0.00 1.12 0.02 0.00 0.00 0.00 0.00 98.84 0.01 67 P E E 52.78 15.59 11.77 27.02 113.41 -111.58 -69.31 138.60 4.89 95.10 0.01 4.39 0.17 0.01 0.00 0.00 0.00 95.34 0.07 68 T E E 77.27 4.76 13.18 19.92 121.92 174.91 -134.43 124.04 13.22 86.56 0.22 9.88 2.97 0.76 0.07 0.20 0.00 83.52 2.60 69 G C T 68.78 0.42 13.69 11.99 94.36 -16.54 57.51 31.98 99.20 0.39 0.41 0.45 9.43 89.30 0.01 0.49 0.00 0.27 0.05 70 G C T 54.94 3.76 12.49 17.57 95.14 -48.16 81.89 1.99 99.44 0.16 0.40 0.60 10.26 88.51 0.01 0.49 0.00 0.11 0.02 71 R E E 132.76 3.19 17.28 21.74 128.00 94.10 -119.13 147.12 10.38 89.56 0.05 6.97 3.50 0.36 0.01 0.04 0.00 87.84 1.27 72 A E E 23.32 19.54 11.41 30.37 115.16 -118.67 -79.49 135.64 5.45 94.54 0.01 4.98 0.20 0.02 0.00 0.00 0.00 94.71 0.09 73 R E E 111.32 5.59 22.75 28.97 127.29 -171.35 -126.70 142.44 3.89 96.10 0.01 3.56 0.20 0.02 0.00 0.00 0.00 96.10 0.12 74 L E E 58.69 16.93 13.27 29.65 113.42 -114.62 -77.19 133.45 9.54 90.41 0.06 9.45 0.29 0.04 0.02 0.03 0.00 87.81 2.36 75 I C C 64.22 10.14 14.73 26.06 117.74 -141.21 -87.92 151.99 76.47 22.37 1.15 69.36 4.64 1.63 0.19 1.04 0.00 21.95 1.18 76 E C T 152.96 1.81 16.00 18.21 109.82 -78.01 -62.99 134.79 82.36 15.70 1.93 4.68 13.39 65.59 0.16 1.85 0.00 13.25 1.09 77 G C T 57.53 1.85 16.99 18.69 95.97 20.83 84.59 -2.48 89.75 8.76 1.48 9.10 14.71 65.86 0.10 1.57 0.00 8.22 0.43 78 C C C 27.35 18.88 9.46 27.27 116.36 134.07 -84.08 137.75 84.13 14.87 1.00 74.44 7.70 1.53 0.18 0.96 0.00 13.27 1.91 79 S C C 57.73 6.87 20.16 27.59 123.24 -161.33 -114.26 145.34 65.48 33.90 0.62 53.73 9.19 1.72 0.16 0.59 0.00 30.56 4.04 80 F E E 72.67 16.88 13.76 29.95 129.81 -169.13 -129.50 147.18 47.07 52.49 0.44 38.97 6.39 1.21 0.10 0.41 0.00 50.77 2.15 81 R E E 116.54 7.46 17.12 26.01 127.08 -167.64 -126.38 144.43 30.15 69.53 0.32 27.28 2.05 0.42 0.13 0.22 0.00 65.76 4.13 82 R E E 131.30 7.93 13.50 22.74 118.12 -130.31 -92.28 137.79 36.40 62.99 0.61 32.40 2.11 0.61 0.30 0.37 0.00 54.55 9.65 83 K C C 125.80 6.45 10.42 18.43 111.11 -114.97 -76.82 135.13 83.85 14.57 1.58 53.69 17.32 12.77 0.31 1.43 0.00 12.84 1.65 84 G C C 57.02 1.86 11.61 14.40 110.18 18.39 90.90 -143.10 95.37 3.83 0.81 69.41 10.30 15.47 0.12 0.78 0.00 3.17 0.75 85 D C C 116.83 2.19 12.15 15.57 105.90 -41.04 -85.69 77.51 99.88 0.11 0.02 99.66 0.18 0.08 0.00 0.00 0.00 0.06 0.01