# 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 A C C 66.22 6.58 11.24 19.23 115.11 -142.40 -90.23 135.46 99.64 0.17 0.19 99.53 0.12 0.13 0.09 0.02 0.00 0.08 0.03 1 K C C 138.65 3.43 10.36 15.64 115.76 -154.01 -98.68 131.81 75.22 4.63 20.15 67.84 2.00 7.00 9.65 8.66 0.00 2.77 2.07 2 D C C 96.51 4.14 9.20 15.10 108.35 -141.17 -88.77 103.66 69.24 5.39 25.37 48.60 8.33 12.08 7.12 18.54 0.01 3.31 2.01 3 L C C 114.39 4.08 9.77 15.47 98.67 151.64 -77.56 -12.36 69.09 3.92 26.99 27.40 16.25 27.17 5.89 19.47 0.03 2.12 1.67 4 L C T 106.66 4.32 11.24 16.94 99.24 58.98 -83.50 -9.03 72.31 5.06 22.64 22.02 24.80 27.55 5.61 14.82 0.10 2.49 2.61 5 H C S 110.78 5.28 11.03 18.10 113.31 66.38 -107.23 110.20 97.73 2.08 0.19 35.15 62.57 0.46 0.07 0.09 0.00 0.81 0.86 6 P C C 56.85 7.85 9.61 19.32 117.13 -130.55 -71.14 153.84 98.78 1.12 0.11 93.01 5.56 0.25 0.05 0.04 0.00 0.38 0.72 7 S C C 57.91 2.74 13.68 17.21 115.71 -103.76 -68.60 155.20 99.64 0.17 0.18 98.33 1.27 0.08 0.14 0.02 0.00 0.04 0.12 8 P H H 91.19 3.69 10.63 16.11 92.10 -108.33 -58.10 -37.66 5.30 0.02 94.68 1.75 0.75 2.69 93.12 1.66 0.00 0.01 0.01 9 E H H 128.99 1.30 12.80 13.93 92.21 52.75 -64.97 -39.73 3.48 0.04 96.48 1.13 0.38 1.98 94.42 2.04 0.00 0.03 0.01 10 E H H 95.96 2.42 12.55 15.87 92.38 49.67 -65.56 -39.64 1.98 0.08 97.93 0.79 0.27 0.99 95.62 2.23 0.00 0.07 0.01 11 E H H 78.97 5.18 11.01 18.17 92.22 52.05 -64.69 -40.27 2.09 0.07 97.84 0.86 0.26 1.01 96.63 1.17 0.00 0.05 0.01 12 K H H 117.59 2.92 12.95 16.90 92.30 51.44 -65.48 -39.15 4.26 0.09 95.65 1.18 0.42 2.55 94.47 1.30 0.01 0.05 0.02 13 R H H 149.56 1.55 13.73 15.16 92.86 51.06 -67.87 -37.59 8.58 0.08 91.33 1.41 0.73 5.99 90.32 1.47 0.01 0.04 0.03 14 K H H 122.89 2.91 13.46 17.26 94.46 51.56 -71.66 -30.15 21.65 0.24 78.11 4.26 2.75 14.33 76.66 1.76 0.03 0.10 0.12 15 H C H 91.54 6.79 10.47 18.78 98.71 55.67 -86.74 -2.48 49.45 1.38 49.16 21.21 7.65 20.51 46.62 2.71 0.04 0.62 0.64 16 K C H 125.71 4.08 12.43 18.01 98.72 86.48 -72.94 -27.91 55.38 3.83 40.78 34.17 7.37 13.58 35.13 6.06 0.04 2.16 1.47 17 K C H 136.46 3.04 13.16 17.25 99.26 60.76 -76.55 -14.71 56.91 4.78 38.31 28.53 10.86 17.50 29.98 8.51 0.06 3.08 1.48 18 K C C 120.12 5.44 13.04 19.74 106.70 60.91 -87.77 76.70 60.39 8.06 31.55 35.16 11.80 13.26 23.03 8.88 0.09 5.52 2.25 19 R C C 122.57 7.25 13.16 21.61 110.77 80.00 -90.55 116.41 65.90 12.42 21.68 48.04 9.33 7.43 16.83 5.81 0.04 7.97 4.56 20 L C C 79.78 9.43 12.71 22.90 105.89 -133.08 -80.69 59.55 66.87 13.86 19.27 44.00 12.50 9.88 13.52 6.28 0.07 8.54 5.21 21 V C C 80.42 7.69 12.59 21.33 108.66 61.86 -85.43 104.83 78.03 7.02 14.95 34.23 20.34 24.52 8.48 5.90 0.06 4.18 2.29 22 Q C C 127.56 3.31 14.02 18.44 101.00 20.04 -85.26 -2.09 87.70 3.30 9.00 34.06 27.05 27.33 3.22 5.22 0.01 1.81 1.30 23 S C C 45.61 7.33 11.63 20.83 119.72 75.92 -116.29 130.93 96.00 3.22 0.77 54.05 40.05 2.00 0.24 0.47 0.00 1.29 1.90 24 P C T 95.32 4.48 13.16 19.26 96.51 -128.17 -65.48 -20.05 96.06 0.87 3.07 11.91 12.51 71.26 0.29 3.15 0.00 0.57 0.31 25 N C T 106.80 4.29 15.31 20.60 98.47 55.37 -90.54 8.05 95.62 1.84 2.54 13.00 12.37 70.00 0.25 2.57 0.00 1.38 0.41 26 S C C 30.64 13.98 12.32 27.00 120.04 112.92 -97.15 143.79 83.44 13.77 2.79 62.44 15.15 5.63 0.42 2.74 0.00 11.48 2.14 27 Y C C 96.14 9.66 19.23 29.39 129.24 -171.61 -125.94 146.86 62.11 37.22 0.67 46.35 13.16 2.22 0.13 0.63 0.00 35.92 1.60 28 F E E 69.10 15.86 16.34 31.80 120.93 -134.91 -106.77 135.78 16.05 83.85 0.11 14.32 1.20 0.15 0.03 0.08 0.00 83.15 1.07 29 M E E 55.87 12.38 18.44 31.43 122.88 -167.07 -117.98 141.88 5.73 94.25 0.02 4.92 0.61 0.05 0.00 0.02 0.00 94.00 0.39 30 D E E 81.75 8.24 20.37 28.92 111.71 -120.79 -85.46 120.35 3.43 96.56 0.01 2.83 0.50 0.04 0.00 0.01 0.00 96.55 0.06 31 V E E 25.64 17.57 15.00 32.83 124.50 -176.39 -121.83 137.46 4.01 95.99 0.01 3.72 0.17 0.01 0.00 0.00 0.00 95.94 0.16 32 K E E 118.29 5.16 21.35 27.32 116.51 -138.47 -97.25 129.69 12.07 87.92 0.02 11.03 0.60 0.04 0.00 0.01 0.00 86.65 1.67 33 C C C 14.36 20.07 10.39 30.05 114.14 -133.00 -83.26 131.14 92.70 7.27 0.02 91.38 1.47 0.11 0.00 0.02 0.00 6.61 0.40 34 P C T 86.83 4.64 17.06 22.60 109.22 -105.73 -61.17 134.60 97.69 0.88 1.43 1.49 8.95 87.01 0.04 1.69 0.00 0.68 0.15 35 G C T 58.26 1.88 16.27 17.98 95.92 16.47 85.65 -2.71 97.95 0.75 1.30 0.82 8.91 88.05 0.03 1.53 0.00 0.54 0.11 36 C C C 35.47 13.69 9.15 23.05 129.40 82.82 -121.82 157.10 81.82 15.94 2.25 46.61 26.70 9.03 0.29 2.46 0.01 10.19 4.71 37 Y C S 173.72 2.38 15.77 18.76 96.93 -142.19 -82.89 -9.29 87.04 12.56 0.39 24.59 55.03 7.39 0.04 0.43 0.00 11.62 0.90 38 K C E 115.42 4.52 16.95 22.64 121.54 80.94 -103.92 142.53 64.10 35.62 0.28 31.97 29.42 3.39 0.03 0.28 0.00 34.02 0.89 39 I E E 65.35 14.54 13.77 28.37 119.34 -144.99 -106.65 131.24 30.07 69.90 0.03 28.29 0.94 0.07 0.01 0.02 0.00 70.40 0.27 40 T E E 43.74 10.92 18.63 30.58 124.33 -168.65 -120.57 140.30 2.61 97.39 0.01 2.37 0.12 0.01 0.00 0.00 0.00 97.42 0.07 41 T E E 49.41 12.85 19.39 32.59 120.16 -136.81 -104.70 132.79 0.65 99.35 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.02 42 V E E 26.89 15.69 18.29 34.66 121.80 -167.50 -116.40 131.71 1.82 98.17 0.01 1.56 0.11 0.01 0.00 0.00 0.00 98.28 0.04 43 F E E 61.72 12.50 18.75 31.97 119.41 -157.55 -109.95 131.35 8.76 91.14 0.10 7.18 1.00 0.20 0.02 0.06 0.00 91.22 0.33 44 S C E 38.11 12.11 16.29 28.96 122.27 -165.12 -116.01 156.20 49.52 47.73 2.75 23.27 14.28 13.29 0.29 2.36 0.00 45.69 0.81 45 H C T 122.00 5.90 18.65 24.80 98.75 -62.28 -73.89 10.16 83.91 12.07 4.02 22.74 26.45 35.10 0.43 3.69 0.00 10.44 1.15 46 A C T 43.70 11.32 14.81 26.57 116.64 74.08 -101.06 144.55 91.97 4.29 3.74 22.05 31.99 37.85 0.32 3.77 0.00 3.35 0.67 47 Q C S 92.91 8.98 17.99 27.42 110.80 -123.07 -92.37 116.86 71.67 26.78 1.55 21.40 25.59 25.01 0.14 1.45 0.00 25.54 0.86 48 T E E 42.77 13.12 18.17 31.70 124.18 54.86 -115.47 140.43 20.63 79.07 0.29 15.31 4.22 1.04 0.05 0.25 0.00 78.75 0.38 49 V E E 37.56 14.11 20.78 35.42 120.52 -152.50 -109.45 130.68 3.88 96.09 0.03 3.45 0.21 0.02 0.01 0.01 0.00 96.20 0.11 50 V E E 12.98 19.73 19.74 39.79 120.90 -163.60 -113.26 129.43 1.17 98.82 0.01 1.05 0.05 0.01 0.00 0.00 0.00 98.86 0.03 51 L E E 51.00 10.91 23.71 35.21 118.80 -154.87 -106.86 130.03 2.37 97.60 0.02 2.15 0.15 0.03 0.01 0.01 0.00 97.47 0.18 52 C E E 11.81 19.71 13.96 34.15 114.18 -128.85 -78.68 134.02 31.60 68.29 0.11 29.56 1.24 0.25 0.02 0.08 0.00 67.79 1.05 53 V C T 78.47 8.92 18.20 27.56 108.17 -113.51 -66.15 129.06 94.43 4.71 0.86 2.17 15.00 77.51 0.04 0.85 0.00 4.07 0.37 54 G C T 56.80 2.38 18.67 21.04 98.16 17.40 86.17 -2.05 97.70 1.61 0.69 1.56 18.40 77.86 0.02 0.71 0.00 1.26 0.19 55 C C S 40.65 13.64 11.14 24.82 131.43 66.63 -127.84 157.47 90.23 8.57 1.19 28.52 44.10 17.77 0.11 1.39 0.00 6.26 1.86 56 S C S 86.31 2.85 18.51 21.98 95.26 -139.07 -84.68 -3.28 92.93 6.63 0.44 18.81 62.20 11.71 0.04 0.47 0.00 6.20 0.58 57 T C E 58.51 8.75 18.58 28.28 119.04 99.63 -91.95 138.32 63.50 36.22 0.28 33.10 26.67 3.71 0.03 0.30 0.00 35.19 1.00 58 V E E 42.13 16.01 17.87 34.03 112.07 -130.36 -86.23 125.68 7.04 92.91 0.04 6.67 0.40 0.07 0.01 0.03 0.00 91.94 0.87 59 L E E 24.54 17.03 21.33 38.48 99.19 -163.25 -90.87 -25.02 5.35 94.63 0.02 3.72 1.33 0.15 0.00 0.02 0.00 94.70 0.08 60 C E E 9.44 20.96 17.31 38.43 138.55 12.46 -146.30 152.39 1.02 98.96 0.01 0.91 0.08 0.02 0.00 0.01 0.00 98.95 0.04 61 Q E E 83.26 7.30 23.46 31.34 125.60 -156.62 -124.50 137.74 1.00 99.00 0.00 0.94 0.03 0.00 0.00 0.00 0.00 99.01 0.02 62 P E E 52.81 15.17 12.24 27.21 113.71 -112.10 -69.69 139.62 4.18 95.81 0.01 3.79 0.15 0.01 0.00 0.01 0.00 95.94 0.10 63 T E E 76.72 4.97 13.40 20.32 121.19 171.30 -134.84 124.16 14.02 85.73 0.24 10.20 3.41 1.02 0.06 0.23 0.00 82.89 2.20 64 G C T 68.29 0.49 14.03 12.51 94.44 -15.88 58.44 31.81 99.23 0.35 0.42 0.52 10.39 88.30 0.01 0.51 0.00 0.24 0.05 65 G C T 52.78 4.62 12.78 18.64 95.60 -47.87 81.88 1.94 99.46 0.14 0.40 0.66 11.29 87.46 0.01 0.47 0.00 0.10 0.02 66 K E E 114.82 3.48 17.70 22.48 127.90 94.48 -119.67 147.10 10.86 89.07 0.07 7.52 3.51 0.34 0.02 0.05 0.00 87.22 1.35 67 A E E 21.21 20.09 11.57 31.16 115.64 -119.60 -78.06 135.48 5.93 94.06 0.01 5.42 0.23 0.02 0.00 0.01 0.00 94.18 0.14 68 R E E 110.89 5.56 23.08 29.24 127.37 -171.11 -125.29 144.14 5.57 94.41 0.02 5.11 0.28 0.03 0.00 0.01 0.00 94.32 0.24 69 L E E 58.14 17.17 13.08 29.62 113.37 -113.56 -76.24 135.56 16.37 83.52 0.11 15.63 0.63 0.08 0.06 0.05 0.00 80.53 3.02 70 T C C 54.02 9.41 14.88 25.49 118.99 -141.56 -90.41 158.78 82.67 16.04 1.29 74.49 5.46 2.05 0.23 1.14 0.00 15.25 1.38 71 E C T 156.32 1.66 15.62 17.63 109.59 -80.78 -63.53 134.56 86.79 9.84 3.37 5.89 14.54 66.72 0.33 3.24 0.00 8.12 1.17 72 G C T 57.70 1.87 16.61 18.50 95.96 20.86 84.45 -1.89 90.77 6.21 3.02 9.42 15.12 66.14 0.27 3.02 0.00 5.48 0.57 73 C C C 29.97 18.17 10.01 27.26 114.93 127.73 -86.66 135.30 85.66 11.79 2.55 69.57 12.15 3.46 0.47 2.44 0.00 9.89 2.02 74 S C C 54.87 7.91 18.55 27.25 124.19 -164.96 -114.31 144.94 67.01 31.44 1.56 54.07 8.92 2.99 0.46 1.28 0.00 27.33 4.94 75 F C C 73.00 16.05 13.19 28.76 128.52 -171.71 -127.75 146.56 54.28 44.46 1.26 42.52 8.74 2.63 0.33 1.08 0.00 41.88 2.81 76 R E E 129.87 5.92 16.22 23.68 124.98 -160.14 -119.60 142.19 43.79 55.22 1.00 37.64 3.89 1.33 0.40 0.72 0.00 50.17 5.84 77 R C C 132.27 8.25 10.89 20.45 117.62 -132.22 -91.61 137.32 51.46 46.99 1.55 44.06 4.15 1.64 0.78 0.93 0.00 39.90 8.52 78 K C C 131.69 4.54 9.59 16.06 114.92 -129.96 -87.40 137.20 88.72 10.62 0.67 86.90 1.21 1.16 0.23 0.31 0.00 8.88 1.31 79 Q C C 143.61 1.94 11.97 15.23 109.03 -115.25 -78.95 121.85 99.91 0.08 0.01 99.84 0.08 0.03 0.00 0.00 0.00 0.05 0.00