# 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 G C C 48.21 3.83 12.15 17.67 120.04 25.75 81.91 130.67 99.84 0.15 0.01 99.68 0.17 0.05 0.00 0.00 0.00 0.08 0.02 1 R C C 169.27 2.62 9.58 14.00 115.39 -95.41 -97.79 130.46 88.25 8.01 3.74 83.82 1.74 3.23 1.44 1.74 0.00 5.28 2.75 2 Q C C 134.51 1.98 8.91 12.59 117.61 -155.78 -103.59 132.21 78.12 15.03 6.85 61.26 9.31 6.58 2.15 5.10 0.00 10.20 5.42 3 F C G 142.73 4.23 7.03 13.08 114.73 -141.96 -94.67 133.78 53.78 7.82 38.40 28.77 9.47 16.79 3.67 34.28 0.01 5.33 1.67 4 G C G 55.63 2.33 10.68 14.20 107.14 14.67 81.51 -22.06 53.81 4.51 41.68 15.46 11.62 27.81 3.21 37.75 0.02 3.20 0.93 5 H C G 157.27 1.19 11.11 12.54 104.89 45.45 -93.04 45.52 56.28 6.31 37.40 25.37 14.19 18.10 3.35 33.36 0.02 4.43 1.18 6 L C C 99.13 5.82 6.55 14.12 117.12 147.80 -88.74 138.09 76.49 18.13 5.37 57.96 15.27 3.24 2.40 3.09 0.01 14.33 3.71 7 T C C 99.35 1.90 9.22 12.65 119.90 -148.78 -103.99 140.69 67.60 29.43 2.97 59.12 5.28 2.14 1.64 1.32 0.00 28.35 2.16 8 R E E 177.92 1.91 7.63 11.64 116.85 -138.59 -100.80 131.70 46.63 50.59 2.78 38.05 5.94 2.38 1.60 1.36 0.01 47.02 3.63 9 V E E 102.65 2.53 6.58 11.17 119.21 -167.75 -117.35 128.54 42.77 55.05 2.18 35.51 4.39 2.00 1.48 1.00 0.01 48.11 7.50 10 R C T 197.08 0.69 8.17 9.20 109.90 -96.52 -69.09 121.40 84.29 13.11 2.60 29.18 14.70 41.08 1.12 1.24 0.01 11.38 1.30 11 H C T 173.56 0.66 9.26 9.89 96.04 0.20 67.53 17.12 94.49 3.88 1.63 22.54 19.81 52.37 0.51 0.94 0.00 3.42 0.41 12 V E E 95.06 3.06 6.65 11.86 122.54 106.03 -115.58 136.75 46.63 52.28 1.09 29.03 12.58 6.94 0.41 0.73 0.01 47.23 3.08 13 I E E 119.52 2.63 8.96 13.47 116.97 -148.57 -102.80 128.47 30.54 69.10 0.35 26.32 2.88 0.79 0.17 0.18 0.00 68.12 1.54 14 T E E 89.80 3.87 9.15 15.43 122.63 -166.73 -118.44 137.57 28.59 71.07 0.35 25.17 2.23 0.51 0.18 0.16 0.00 70.49 1.27 15 Y E E 134.79 4.93 10.06 17.16 124.95 -171.76 -125.41 141.32 31.51 68.08 0.41 27.42 2.78 0.64 0.19 0.21 0.00 67.41 1.35 16 S E E 78.28 3.11 12.34 17.64 126.45 -163.63 -125.65 145.81 42.48 57.24 0.28 36.98 3.95 0.61 0.11 0.17 0.00 56.48 1.70 17 L C C 78.52 9.09 8.81 19.14 118.80 -142.86 -96.87 141.91 65.86 34.00 0.13 61.88 3.34 0.20 0.08 0.07 0.00 29.70 4.73 18 S C C 52.89 3.83 12.43 17.81 116.74 -108.86 -71.11 150.79 99.56 0.39 0.05 98.91 0.74 0.05 0.03 0.01 0.00 0.20 0.07 19 P H H 96.22 3.31 11.03 15.99 90.99 -113.44 -58.37 -33.32 19.31 0.08 80.61 1.49 1.64 14.56 56.68 25.52 0.03 0.04 0.04 20 F H H 151.56 1.27 12.44 13.61 92.15 56.85 -69.34 -28.52 16.80 0.11 83.09 1.28 1.32 12.41 56.39 28.44 0.05 0.06 0.05 21 E H H 85.00 5.98 10.78 18.36 96.32 50.17 -80.96 -21.11 12.44 0.24 87.32 2.84 1.71 6.84 57.78 30.57 0.03 0.15 0.07 22 Q H H 72.93 9.46 9.21 19.78 93.48 74.75 -65.32 -34.89 20.89 0.51 78.60 5.93 3.21 10.80 57.78 21.75 0.07 0.26 0.21 23 R H H 174.67 1.19 13.74 14.80 93.30 59.84 -68.25 -28.88 44.28 0.39 55.33 4.11 3.63 34.25 38.00 19.42 0.13 0.20 0.26 24 A C T 72.85 2.49 12.01 15.33 94.08 56.66 -72.66 -25.62 52.77 0.47 46.77 3.63 6.19 41.02 30.62 17.76 0.17 0.23 0.38 25 F C C 88.85 7.91 9.47 18.71 107.05 35.59 -119.63 62.40 87.24 1.23 11.53 45.32 34.55 7.73 6.71 4.10 0.01 0.34 1.25 26 P C T 79.08 4.19 11.70 17.70 107.19 158.68 -63.62 131.59 62.95 0.40 36.65 8.50 4.27 49.59 15.62 21.48 0.01 0.19 0.34 27 H C T 124.28 3.21 12.90 17.10 95.59 29.93 -24.49 -3.79 55.24 0.22 44.55 4.16 4.17 45.20 22.60 23.52 0.03 0.10 0.21 28 Y H G 112.40 5.72 10.67 18.26 93.56 99.37 -66.04 -36.70 34.36 0.58 65.06 7.72 5.30 19.84 32.19 34.27 0.06 0.28 0.33 29 F H H 125.47 4.10 11.36 16.90 94.91 48.90 -76.17 -26.93 37.88 1.53 60.59 8.50 6.94 21.36 34.92 26.36 0.30 0.79 0.82 30 S H H 71.70 2.79 12.66 16.39 98.10 50.13 -82.66 -26.61 48.77 2.00 49.23 11.39 12.24 25.03 29.45 19.33 0.38 0.96 1.23 31 K C T 138.70 2.25 13.02 15.88 101.42 35.97 -92.33 -19.10 70.33 1.10 28.57 8.52 17.83 43.90 19.59 8.61 0.14 0.47 0.94 32 G C T 35.76 5.14 12.41 18.92 114.40 33.39 -78.27 -138.07 77.01 1.22 21.77 19.68 20.91 37.57 15.20 5.23 0.05 0.46 0.90 33 I C C 95.71 4.45 12.38 17.97 108.56 -6.28 -80.51 92.55 58.45 1.11 40.44 36.85 13.82 8.29 36.50 3.48 0.01 0.39 0.67 34 P H H 76.96 3.68 13.35 18.15 97.61 52.22 -65.94 -30.14 47.78 0.70 51.52 18.46 7.14 22.49 47.14 4.03 0.04 0.32 0.38 35 N H H 77.95 4.89 12.85 19.15 95.62 50.10 -69.54 -26.08 40.83 0.57 58.60 15.36 5.87 20.37 54.00 3.79 0.04 0.26 0.31 36 V H H 73.41 4.18 13.38 19.02 92.92 68.77 -64.91 -39.76 12.71 0.26 87.04 5.30 2.41 5.66 84.29 2.09 0.02 0.12 0.10 37 L H H 91.06 2.69 14.47 17.65 92.01 51.09 -64.88 -41.07 4.73 0.10 95.17 1.62 0.79 2.42 93.81 1.26 0.01 0.05 0.03 38 R H H 125.05 2.53 14.57 17.58 92.23 50.04 -65.60 -40.66 2.36 0.04 97.59 0.81 0.33 1.21 96.52 1.08 0.00 0.03 0.01 39 R H H 121.60 3.20 13.74 18.01 91.98 49.93 -64.59 -40.70 1.98 0.03 97.99 0.56 0.24 1.13 96.92 1.12 0.01 0.02 0.01 40 T H H 71.69 3.49 13.57 18.10 92.50 49.08 -65.81 -40.47 2.25 0.02 97.73 0.43 0.23 1.46 96.65 1.20 0.01 0.01 0.01 41 R H H 146.84 2.10 14.85 16.90 92.27 50.20 -66.24 -38.02 3.30 0.01 96.69 0.28 0.23 2.62 94.97 1.89 0.01 0.01 0.00 42 A H H 62.88 2.70 14.03 17.37 93.12 49.60 -71.27 -30.30 18.63 0.02 81.36 0.37 0.59 18.41 77.95 2.64 0.03 0.01 0.01 43 C H H 58.31 5.31 11.75 18.90 97.93 46.24 -91.94 -15.82 43.18 0.04 56.78 1.08 1.24 40.55 54.16 2.91 0.01 0.01 0.03 44 I H H 91.64 4.64 11.51 17.85 92.81 82.01 -61.72 -40.84 6.13 0.04 93.84 1.24 0.73 3.77 81.23 12.99 0.01 0.02 0.01 45 L H H 117.16 1.75 13.72 15.39 92.44 52.89 -67.21 -33.71 2.61 0.01 97.38 0.18 0.14 2.00 77.45 20.21 0.00 0.01 0.00 46 R H H 154.66 1.80 13.88 15.88 95.03 48.21 -76.70 -31.27 3.45 0.01 96.53 0.17 0.17 2.82 76.85 19.96 0.01 0.01 0.00 47 V H H 75.98 4.78 12.30 18.56 97.81 41.80 -87.57 -24.01 9.59 0.03 90.38 0.37 0.68 8.48 81.08 9.31 0.04 0.01 0.02 48 A H H 51.47 4.40 12.45 18.57 93.35 71.66 -61.08 -42.68 13.04 0.06 86.91 4.94 4.83 2.69 86.73 0.76 0.00 0.01 0.04 49 P H H 74.78 2.37 14.95 17.49 92.27 50.53 -63.90 -41.06 2.39 0.00 97.60 0.62 0.19 1.26 97.36 0.57 0.00 0.00 0.00 50 P H H 72.08 2.93 15.00 18.62 92.06 50.17 -64.58 -39.13 0.89 0.00 99.11 0.14 0.05 0.55 98.70 0.56 0.00 0.00 0.00 51 F H H 108.09 3.54 14.59 18.98 92.24 50.48 -65.28 -40.54 0.19 0.00 99.81 0.02 0.01 0.11 99.64 0.21 0.00 0.00 0.00 52 V H H 81.27 2.66 15.09 18.11 91.92 50.26 -64.34 -41.87 0.11 0.00 99.89 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 53 V H H 84.93 1.97 15.56 17.32 91.72 49.61 -64.13 -41.84 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 54 F H H 110.25 2.64 15.04 18.15 91.85 50.05 -64.22 -41.85 0.11 0.00 99.89 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 55 Y H H 119.18 3.05 14.99 18.67 91.85 49.61 -64.21 -41.64 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 56 L H H 90.35 2.47 15.35 18.03 91.79 49.67 -64.26 -41.91 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 57 V H H 84.11 2.11 15.71 17.70 91.80 49.35 -64.26 -42.34 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 58 Y H H 121.89 2.78 15.55 18.65 92.05 48.60 -65.05 -41.56 0.20 0.00 99.80 0.01 0.01 0.16 99.79 0.03 0.00 0.00 0.00 59 T H H 67.33 3.10 15.72 19.30 92.15 49.19 -65.04 -41.56 0.74 0.00 99.26 0.05 0.04 0.56 99.28 0.06 0.00 0.00 0.00 60 W H H 134.42 2.26 16.32 18.38 91.93 49.60 -64.60 -41.23 0.88 0.00 99.12 0.07 0.06 0.66 99.09 0.12 0.00 0.00 0.00 61 G H H 31.85 3.18 15.14 19.35 91.88 50.91 -63.39 -41.85 1.17 0.00 98.82 0.15 0.10 0.80 98.78 0.16 0.00 0.00 0.00 62 T H H 71.23 2.85 16.12 19.26 91.99 48.75 -65.33 -40.66 1.09 0.00 98.91 0.17 0.10 0.70 98.89 0.14 0.00 0.00 0.00 63 Q H H 96.61 2.58 16.21 18.83 92.15 49.75 -64.80 -40.99 0.87 0.00 99.12 0.12 0.06 0.55 99.11 0.15 0.00 0.00 0.00 64 E H H 99.35 2.54 15.64 18.45 91.94 50.32 -63.87 -41.83 0.85 0.00 99.15 0.10 0.06 0.54 99.09 0.20 0.00 0.00 0.00 65 F H H 104.84 2.72 14.59 17.96 92.12 49.56 -65.04 -40.57 1.53 0.00 98.47 0.20 0.11 1.01 98.28 0.40 0.00 0.00 0.00 66 E H H 98.34 2.70 14.05 17.46 92.04 51.00 -64.81 -40.62 2.83 0.01 97.16 0.36 0.24 1.97 96.75 0.68 0.00 0.00 0.00 67 K H H 118.51 2.52 13.26 16.32 92.42 50.18 -66.12 -37.48 6.56 0.03 93.42 0.75 0.61 4.87 92.47 1.26 0.01 0.01 0.01 68 S H H 68.43 2.56 11.91 15.57 93.22 52.69 -70.74 -29.97 21.09 0.10 78.81 2.53 2.13 16.13 76.89 2.18 0.03 0.04 0.06 69 K H H 145.02 1.71 11.74 14.04 96.98 52.63 -81.66 -15.07 46.04 0.40 53.56 7.41 6.59 32.24 50.02 3.26 0.06 0.15 0.27 70 R C T 138.97 3.88 9.19 14.71 108.37 79.82 -83.59 98.28 68.01 1.12 30.87 21.26 16.27 31.06 26.66 3.62 0.03 0.39 0.70 71 K C C 155.42 1.65 11.44 13.60 99.75 61.60 -79.68 -16.07 84.95 1.29 13.76 33.21 30.79 21.16 10.60 2.86 0.01 0.44 0.93 72 N C C 85.22 3.75 10.70 16.16 108.69 33.57 -118.63 85.63 98.28 0.32 1.39 87.24 9.57 1.52 0.97 0.33 0.00 0.12 0.26 73 P H G 71.54 6.20 9.05 17.42 94.06 -163.07 -61.98 -32.74 31.36 0.38 68.27 16.09 3.33 11.30 19.24 49.69 0.00 0.23 0.13 74 A H G 73.50 1.71 12.41 14.55 92.53 59.03 -65.15 -35.08 16.70 0.13 83.17 2.66 1.77 10.99 20.88 63.57 0.00 0.09 0.04 75 A H G 64.59 2.34 11.73 15.09 92.41 57.11 -67.91 -29.07 14.81 0.16 85.03 2.84 1.80 9.07 22.00 64.13 0.00 0.10 0.04 76 Y H G 106.74 5.81 8.64 16.14 97.59 49.83 -85.89 -10.91 30.45 0.66 68.89 10.40 5.47 14.30 22.11 47.05 0.01 0.33 0.32 77 E C T 123.00 2.92 9.65 14.23 95.87 82.21 -66.32 -28.27 61.61 0.83 37.56 8.81 7.20 43.56 18.23 21.06 0.05 0.39 0.69 78 N C T 123.94 1.40 9.86 11.84 97.94 50.58 -85.95 8.40 69.76 0.42 29.81 10.52 7.45 51.04 12.52 17.92 0.01 0.21 0.34 79 D C C 96.65 4.03 6.96 12.83 106.50 118.10 -81.64 97.42 85.48 0.67 13.85 72.92 2.55 11.59 5.56 6.60 0.00 0.33 0.44 80 K C C 157.58 1.70 11.22 14.11 110.35 118.59 -91.47 115.13 99.88 0.08 0.03 99.76 0.11 0.05 0.02 0.00 0.00 0.04 0.02