# 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 120.57 4.70 10.66 17.37 115.88 172.68 -94.16 133.88 99.76 0.22 0.02 99.68 0.12 0.05 0.01 0.00 0.00 0.12 0.02 1 G C C 52.34 2.91 10.06 14.79 118.84 112.08 -111.10 163.76 85.23 13.85 0.92 80.51 1.93 2.64 0.36 0.44 0.00 11.00 3.12 2 R C C 171.80 2.24 8.53 12.66 115.56 -115.22 -99.86 133.61 75.41 21.59 3.01 56.24 13.48 5.17 1.07 2.10 0.00 17.67 4.27 3 E C C 142.34 2.01 8.58 12.39 116.51 -151.76 -102.81 133.45 74.98 20.57 4.44 60.57 8.70 4.67 1.47 3.26 0.00 16.55 4.77 4 F C C 147.48 3.64 7.10 12.69 114.09 -144.68 -91.69 131.30 61.37 11.43 27.19 31.43 10.17 20.81 3.38 23.70 0.02 8.06 2.42 5 G C T 56.29 2.11 10.45 13.73 108.10 12.66 88.40 -108.77 65.55 5.15 29.30 17.87 14.10 33.83 2.84 26.50 0.02 3.59 1.25 6 H C C 155.85 1.27 10.68 12.51 106.77 14.12 -93.66 59.05 65.28 7.13 27.58 30.03 17.81 18.37 3.27 24.09 0.03 4.77 1.63 7 L C C 104.39 5.23 6.56 13.68 116.60 134.83 -89.21 137.23 74.47 18.88 6.65 56.68 13.17 4.37 2.89 3.92 0.01 15.26 3.70 8 T C C 97.60 2.11 8.87 12.68 119.82 -149.52 -105.41 141.59 66.96 28.69 4.35 55.98 6.81 3.15 2.31 2.05 0.00 27.51 2.19 9 R C E 179.67 1.72 7.67 11.37 116.87 -134.73 -98.52 132.61 47.96 47.79 4.26 38.23 6.60 3.22 2.37 2.09 0.02 44.02 3.45 10 M E E 125.72 2.47 6.51 11.03 119.49 -167.63 -117.27 130.47 45.98 51.16 2.86 37.55 4.90 2.43 1.92 1.32 0.01 44.44 7.43 11 R C T 197.17 0.69 8.14 9.18 109.36 -92.07 -68.41 121.05 84.51 12.38 3.11 28.32 14.13 42.61 1.37 1.48 0.01 10.76 1.32 12 H C T 172.52 0.71 9.16 9.98 96.43 -3.07 67.57 19.25 93.10 4.86 2.05 22.69 18.90 51.79 0.66 1.17 0.00 4.30 0.49 13 V E E 95.04 3.12 6.66 11.97 121.89 111.15 -114.94 136.27 45.80 52.92 1.27 30.69 11.23 5.63 0.55 0.81 0.01 47.65 3.42 14 I E E 119.23 2.64 8.86 13.43 117.01 -152.16 -103.16 128.89 32.63 66.91 0.47 28.22 2.96 0.83 0.25 0.23 0.00 65.89 1.63 15 T E E 90.68 3.76 9.10 15.26 122.57 -166.17 -118.16 137.24 29.81 69.74 0.45 26.08 2.43 0.59 0.25 0.20 0.00 69.13 1.32 16 Y E E 137.13 4.69 9.83 16.75 124.72 -171.39 -124.65 140.64 31.21 68.30 0.49 27.21 2.79 0.67 0.25 0.24 0.00 67.37 1.47 17 S E E 78.80 3.02 12.10 17.29 125.98 -164.69 -126.17 146.24 41.93 57.75 0.31 36.52 3.87 0.62 0.13 0.19 0.00 57.03 1.64 18 L C C 81.34 8.57 8.76 18.66 117.58 -140.73 -95.97 141.65 66.17 33.68 0.15 62.10 3.37 0.22 0.09 0.09 0.00 29.61 4.52 19 S C C 53.38 3.81 12.15 17.53 116.73 -110.08 -71.93 149.72 99.49 0.45 0.06 98.66 0.91 0.06 0.03 0.01 0.00 0.24 0.09 20 P H H 97.10 3.25 10.83 15.78 91.54 -113.10 -58.76 -32.43 23.36 0.12 76.52 1.87 2.02 17.49 44.84 33.62 0.03 0.06 0.06 21 F H H 153.66 1.27 12.06 13.36 92.79 57.33 -70.81 -24.83 21.53 0.17 78.31 1.71 1.79 16.00 43.83 36.44 0.06 0.09 0.09 22 E H H 87.24 5.84 10.45 17.90 97.03 51.09 -84.17 -16.04 16.69 0.42 82.89 4.47 2.52 8.59 45.39 38.61 0.03 0.24 0.14 23 Q H H 77.59 8.78 9.16 19.22 93.73 79.80 -65.31 -34.46 26.41 0.77 72.83 8.59 4.20 12.51 48.42 25.50 0.06 0.39 0.33 24 R H H 174.68 1.23 13.39 14.59 94.12 59.70 -69.06 -26.66 44.47 0.54 54.99 5.65 4.34 32.07 32.46 24.73 0.12 0.28 0.35 25 A C T 72.69 2.55 11.70 15.20 94.47 57.68 -72.68 -25.22 52.47 0.67 46.87 4.81 7.30 38.19 26.40 22.27 0.18 0.34 0.50 26 F C C 92.18 7.50 9.52 18.41 105.57 37.69 -118.11 56.04 83.53 1.45 15.02 43.24 31.52 9.21 8.22 5.97 0.01 0.43 1.40 27 P C T 77.68 4.33 11.39 17.59 103.90 149.50 -64.15 118.79 61.77 0.48 37.76 9.14 4.55 47.30 15.92 22.47 0.02 0.22 0.39 28 H C T 125.05 3.03 12.62 16.64 95.71 35.14 -61.66 -1.52 54.60 0.25 45.15 4.52 4.50 43.81 22.32 24.47 0.03 0.11 0.23 29 Y H G 116.68 5.30 10.56 17.71 93.64 94.46 -66.41 -36.04 35.33 0.68 63.99 8.56 5.69 19.73 30.99 34.25 0.06 0.34 0.38 30 F H H 125.58 3.99 11.16 16.62 95.03 48.83 -75.69 -26.28 39.65 1.84 58.51 10.20 7.68 21.03 33.37 25.53 0.28 0.95 0.95 31 T C H 88.38 2.67 12.56 16.11 98.29 47.04 -83.48 -27.94 49.83 2.45 47.72 13.19 12.91 24.07 28.74 18.11 0.38 1.19 1.40 32 K C T 137.75 2.30 12.74 15.73 101.68 39.67 -89.73 -18.74 70.11 1.32 28.57 9.93 18.38 41.87 19.69 8.39 0.14 0.57 1.03 33 G C T 37.06 4.85 12.30 18.53 111.51 33.05 -76.69 -142.79 77.03 1.36 21.61 21.68 21.17 35.42 14.99 5.22 0.05 0.52 0.96 34 I C C 97.01 4.33 12.28 17.77 108.00 -5.89 -82.56 115.03 59.04 1.29 39.67 37.33 13.92 8.36 35.56 3.59 0.01 0.46 0.77 35 P C H 76.99 3.72 13.28 18.15 100.05 53.08 -67.16 -29.64 50.23 0.84 48.94 19.38 7.64 23.43 44.56 4.11 0.04 0.39 0.44 36 N H H 77.35 5.10 12.80 19.32 96.87 49.80 -69.71 -23.96 43.62 0.68 55.70 17.94 6.04 20.29 51.19 3.83 0.04 0.31 0.37 37 V H H 73.20 4.33 13.28 19.13 93.14 74.80 -65.53 -39.78 12.43 0.28 87.29 5.71 2.38 5.10 84.58 1.96 0.02 0.13 0.11 38 L H H 92.05 2.66 14.48 17.57 92.02 51.38 -64.81 -41.02 4.50 0.10 95.40 1.58 0.76 2.28 94.01 1.28 0.02 0.06 0.02 39 R H H 124.78 2.55 14.57 17.62 92.28 49.94 -65.61 -40.63 2.44 0.05 97.51 0.83 0.35 1.27 96.33 1.17 0.01 0.03 0.01 40 R H H 120.39 3.29 13.65 18.06 92.01 50.05 -64.80 -40.72 2.10 0.04 97.86 0.60 0.26 1.21 96.70 1.19 0.01 0.02 0.01 41 T H H 72.12 3.41 13.58 17.97 92.47 48.96 -65.80 -40.73 2.50 0.03 97.47 0.49 0.27 1.64 96.30 1.27 0.01 0.01 0.01 42 R H H 146.50 2.10 14.78 16.80 92.35 50.17 -66.21 -38.01 3.80 0.02 96.18 0.33 0.28 3.02 94.48 1.87 0.01 0.01 0.00 43 A H H 62.56 2.72 14.03 17.36 93.23 48.86 -71.36 -30.19 20.13 0.02 79.85 0.43 0.70 19.68 76.59 2.54 0.03 0.01 0.02 44 C H H 58.79 5.15 11.87 18.81 97.80 46.21 -89.94 -17.41 44.32 0.05 55.63 1.26 1.38 41.13 53.33 2.82 0.02 0.02 0.04 45 I H H 91.80 4.46 11.66 17.74 92.89 76.81 -61.73 -41.00 6.65 0.04 93.31 1.43 0.84 4.01 81.83 11.85 0.01 0.02 0.01 46 L H H 115.24 1.90 13.71 15.57 92.43 52.54 -67.17 -34.28 2.82 0.01 97.17 0.21 0.16 2.14 78.07 19.42 0.00 0.01 0.00 47 R H H 153.96 1.84 13.89 15.94 95.17 47.42 -76.61 -30.86 3.73 0.01 96.25 0.19 0.19 3.04 77.11 19.45 0.01 0.01 0.00 48 V H H 77.28 4.51 12.47 18.39 97.77 41.98 -86.60 -25.00 9.74 0.04 90.22 0.37 0.69 8.67 81.27 8.92 0.04 0.02 0.02 49 A H H 52.10 4.23 12.56 18.40 93.35 70.18 -61.54 -42.74 12.97 0.06 86.96 4.91 4.87 2.79 86.61 0.77 0.00 0.02 0.04 50 P H H 74.25 2.43 14.89 17.51 92.25 50.79 -63.88 -41.04 2.70 0.01 97.30 0.78 0.23 1.37 97.05 0.58 0.00 0.00 0.00 51 P H H 71.93 2.95 14.91 18.56 92.12 50.25 -64.67 -39.01 1.02 0.00 98.98 0.19 0.06 0.62 98.55 0.57 0.00 0.00 0.00 52 F H H 109.29 3.35 14.58 18.73 92.25 50.51 -65.21 -40.59 0.21 0.00 99.78 0.03 0.01 0.13 99.62 0.21 0.00 0.00 0.00 53 V H H 82.16 2.53 15.08 17.85 91.92 50.20 -64.37 -41.92 0.12 0.00 99.87 0.01 0.01 0.08 99.86 0.04 0.00 0.00 0.00 54 V H H 85.01 1.97 15.49 17.23 91.74 49.60 -64.16 -41.83 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 55 F H H 110.23 2.58 14.94 18.02 91.77 50.13 -64.14 -41.71 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 56 Y H H 120.36 2.90 14.93 18.42 91.86 49.75 -64.18 -41.70 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 57 L H H 91.06 2.38 15.31 17.83 91.83 49.68 -64.29 -41.89 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 58 V H H 84.26 2.07 15.61 17.54 91.82 49.29 -64.24 -42.36 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 59 Y H H 122.53 2.67 15.45 18.43 92.05 48.62 -65.12 -41.58 0.21 0.00 99.79 0.01 0.01 0.17 99.79 0.03 0.00 0.00 0.00 60 T H H 67.83 2.98 15.61 19.04 92.13 49.18 -65.07 -41.54 0.78 0.00 99.22 0.06 0.04 0.60 99.24 0.06 0.00 0.00 0.00 61 W H H 135.23 2.18 16.22 18.15 91.95 49.61 -64.56 -41.25 0.91 0.00 99.09 0.07 0.06 0.68 99.07 0.12 0.00 0.00 0.00 62 G H H 32.09 3.10 15.07 19.17 91.90 50.86 -63.42 -41.78 1.14 0.00 98.86 0.15 0.09 0.77 98.82 0.15 0.00 0.00 0.00 63 T H H 71.59 2.76 15.98 19.03 91.95 48.74 -65.35 -40.62 0.94 0.00 99.06 0.14 0.08 0.60 99.04 0.13 0.00 0.00 0.00 64 Q H H 97.08 2.48 16.11 18.62 92.17 49.71 -64.73 -41.02 0.73 0.00 99.27 0.09 0.05 0.46 99.26 0.13 0.00 0.00 0.00 65 E H H 99.84 2.41 15.62 18.20 91.92 50.28 -64.10 -41.88 0.75 0.00 99.25 0.09 0.05 0.48 99.21 0.17 0.00 0.00 0.00 66 F H H 104.59 2.63 14.51 17.77 92.11 49.54 -64.90 -40.68 1.40 0.00 98.60 0.17 0.10 0.94 98.44 0.35 0.00 0.00 0.00 67 E H H 97.85 2.68 13.87 17.32 92.04 50.82 -64.72 -40.67 2.67 0.01 97.32 0.32 0.21 1.89 96.95 0.63 0.00 0.00 0.00 68 K H H 120.31 2.31 13.15 16.00 92.38 50.11 -66.51 -37.34 6.42 0.02 93.56 0.68 0.57 4.86 92.65 1.21 0.01 0.01 0.01 69 S H H 70.23 2.30 11.93 15.15 93.39 52.63 -70.79 -29.78 21.12 0.09 78.79 2.16 1.97 16.71 76.93 2.11 0.03 0.03 0.05 70 K H H 145.97 1.61 11.74 13.81 97.30 51.82 -82.72 -14.28 46.14 0.40 53.46 6.72 6.51 33.01 50.10 3.18 0.07 0.15 0.26 71 R C T 138.00 3.87 9.00 14.62 107.95 82.77 -82.56 97.33 68.02 1.23 30.76 22.62 15.82 30.24 26.44 3.65 0.04 0.43 0.77 72 K C C 156.53 1.59 11.41 13.44 100.98 -139.12 -78.61 -19.88 85.27 1.32 13.41 34.71 29.90 20.85 10.21 2.90 0.01 0.45 0.97 73 N C C 84.65 3.72 10.62 16.08 109.02 33.63 -119.60 88.67 98.34 0.33 1.32 86.08 10.83 1.45 0.92 0.32 0.00 0.11 0.28 74 P H G 73.73 5.69 9.14 17.10 94.18 -171.39 -61.94 -32.97 29.24 0.33 70.42 13.63 3.20 11.56 21.51 49.78 0.00 0.20 0.11 75 A H G 73.29 1.67 12.41 14.45 92.63 58.56 -65.18 -35.17 16.22 0.13 83.65 2.47 1.66 10.72 23.45 61.57 0.00 0.08 0.04 76 A H G 63.12 2.38 11.62 15.07 92.76 55.69 -67.76 -30.66 14.09 0.15 85.75 2.72 1.70 8.56 24.73 62.15 0.00 0.10 0.04 77 Y H G 107.68 5.53 8.72 15.99 97.25 50.11 -84.26 -13.48 29.02 0.63 70.35 9.73 5.14 13.61 25.12 45.77 0.01 0.32 0.29 78 E C T 123.87 2.72 9.73 14.03 95.63 77.31 -66.53 -28.23 57.85 0.79 41.36 8.42 6.83 40.45 20.33 22.88 0.07 0.37 0.65 79 N C T 124.18 1.34 9.84 11.71 97.73 50.68 -85.35 6.92 66.96 0.43 32.61 10.13 7.22 48.80 13.78 19.50 0.01 0.21 0.34 80 D C C 96.98 3.95 6.95 12.73 105.75 114.03 -81.65 91.65 83.87 0.70 15.43 70.64 2.58 12.34 6.19 7.43 0.00 0.35 0.46 81 K C C 157.13 1.72 11.15 14.06 109.44 110.95 -91.43 111.24 99.88 0.08 0.03 99.75 0.12 0.06 0.02 0.00 0.00 0.04 0.02