# 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 105.93 6.68 11.94 19.80 116.58 -162.47 -92.75 138.16 99.86 0.07 0.07 99.79 0.08 0.05 0.04 0.00 0.00 0.03 0.01 1 A C C 68.60 4.61 9.96 16.26 111.76 -112.33 -76.24 144.84 82.75 1.87 15.38 78.14 1.00 3.60 14.46 1.15 0.00 0.91 0.74 2 K C C 143.50 2.59 9.92 14.09 107.53 -124.37 -81.06 111.81 68.36 2.44 29.20 52.51 7.54 6.54 28.97 2.30 0.00 1.25 0.88 3 K C H 136.80 3.10 10.84 15.41 103.09 -108.59 -79.24 -5.11 50.16 1.41 48.42 35.69 7.61 6.33 46.89 2.31 0.00 0.70 0.46 4 S H H 56.98 4.92 11.07 17.68 108.06 55.39 -77.84 121.54 39.13 0.68 60.19 29.47 4.70 5.03 58.28 1.97 0.00 0.30 0.24 5 K H H 120.44 4.46 13.33 18.90 95.28 -112.22 -66.04 -36.52 12.60 0.22 87.18 8.05 2.20 3.07 85.24 1.27 0.00 0.10 0.07 6 I H H 89.65 3.18 15.06 18.97 92.82 52.20 -65.82 -41.29 6.02 0.12 93.85 3.25 1.02 2.08 92.64 0.90 0.00 0.06 0.04 7 A H H 45.05 3.88 15.15 20.47 92.16 50.75 -64.51 -41.57 3.82 0.06 96.13 2.03 0.55 1.38 95.29 0.70 0.00 0.03 0.02 8 K H H 89.74 6.24 16.11 23.53 92.33 50.33 -64.90 -40.84 2.88 0.03 97.09 1.44 0.38 1.09 96.59 0.48 0.00 0.01 0.01 9 E H H 82.92 6.15 16.78 24.22 92.20 51.25 -64.49 -40.83 2.35 0.02 97.63 1.02 0.27 1.01 97.34 0.35 0.00 0.00 0.01 10 R H H 129.96 2.60 19.45 21.69 91.84 50.28 -64.67 -41.17 1.71 0.01 98.28 0.65 0.17 0.77 98.19 0.21 0.00 0.00 0.00 11 K H H 97.86 5.03 19.11 24.76 91.91 49.99 -64.64 -41.39 1.16 0.00 98.84 0.42 0.11 0.52 98.83 0.12 0.00 0.00 0.00 12 R H H 73.73 13.20 17.12 30.44 91.93 50.96 -63.73 -41.41 0.66 0.00 99.34 0.20 0.05 0.31 99.34 0.09 0.00 0.00 0.00 13 E H H 90.09 6.20 19.73 26.69 91.59 50.85 -63.76 -41.13 0.44 0.00 99.55 0.11 0.03 0.23 99.56 0.07 0.00 0.00 0.00 14 E H H 101.70 2.39 22.26 23.28 91.68 49.87 -64.30 -41.44 0.41 0.00 99.59 0.08 0.03 0.23 99.59 0.06 0.00 0.00 0.00 15 L H H 37.90 10.40 18.92 30.63 91.80 49.65 -64.18 -42.53 0.60 0.00 99.40 0.09 0.04 0.37 99.40 0.10 0.00 0.00 0.00 16 V H H 21.96 16.22 16.45 33.19 91.66 49.79 -63.58 -41.82 0.74 0.00 99.26 0.09 0.04 0.50 99.20 0.17 0.00 0.00 0.00 17 N H H 86.18 3.22 21.73 24.53 91.67 50.76 -63.93 -40.66 1.84 0.00 98.16 0.17 0.10 1.38 97.79 0.57 0.00 0.00 0.00 18 K H H 113.33 3.00 21.75 24.22 92.02 49.39 -65.41 -40.55 7.05 0.00 92.95 0.23 0.25 6.49 92.19 0.83 0.00 0.00 0.00 19 Y H H 34.62 16.69 16.15 33.01 92.99 48.02 -69.05 -37.70 7.63 0.00 92.37 0.41 0.34 6.48 92.13 0.64 0.00 0.00 0.00 20 Y H H 82.49 11.23 17.85 29.64 91.70 55.39 -61.90 -41.98 0.68 0.00 99.32 0.16 0.05 0.34 99.27 0.18 0.00 0.00 0.00 21 E H H 110.13 1.71 22.81 22.35 91.52 50.28 -63.90 -41.47 0.30 0.00 99.70 0.04 0.02 0.18 99.62 0.14 0.00 0.00 0.00 22 L H H 49.58 9.01 19.19 29.43 91.73 49.38 -64.76 -41.53 0.21 0.00 99.79 0.03 0.01 0.12 99.73 0.11 0.00 0.00 0.00 23 R H H 46.23 17.17 15.62 32.50 91.79 51.43 -63.30 -41.78 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 24 K H H 111.25 3.15 21.07 24.03 91.55 50.44 -63.61 -40.90 0.33 0.00 99.67 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 25 E H H 98.79 2.25 20.30 21.50 91.66 49.92 -64.68 -41.29 0.59 0.00 99.41 0.07 0.04 0.37 99.39 0.12 0.00 0.00 0.00 26 L H H 19.72 12.69 12.86 27.45 91.56 50.16 -64.21 -41.31 1.17 0.00 98.83 0.20 0.10 0.70 98.64 0.35 0.00 0.00 0.00 27 K H H 100.49 8.53 14.13 23.70 91.49 51.62 -63.31 -40.39 2.59 0.01 97.40 0.42 0.19 1.74 96.85 0.80 0.00 0.00 0.00 28 A H H 90.10 0.99 15.25 15.45 90.92 53.29 -65.70 -29.36 11.09 0.02 88.89 0.50 0.47 9.92 88.30 0.78 0.01 0.00 0.01 29 K C T 132.38 2.29 13.50 16.45 92.71 51.39 -86.62 -3.24 68.58 0.04 31.38 0.80 1.81 64.31 32.12 0.92 0.00 0.01 0.03 30 G C T 54.78 2.47 13.58 17.19 95.13 -110.13 80.69 11.83 99.43 0.05 0.51 6.58 4.61 88.35 0.32 0.10 0.00 0.02 0.02 31 D C C 63.00 6.35 12.43 20.84 106.45 136.66 -96.14 95.63 98.52 0.32 1.16 97.69 0.71 0.35 0.86 0.10 0.00 0.08 0.20 32 Y H H 115.15 8.81 12.46 22.77 94.72 173.75 -68.13 -33.49 8.17 0.03 91.79 3.54 1.22 3.65 88.24 3.32 0.00 0.01 0.02 33 E H H 126.53 1.49 18.19 18.62 92.10 56.59 -63.97 -40.48 3.46 0.01 96.53 0.44 0.32 2.45 92.37 4.41 0.00 0.01 0.00 34 A H H 33.50 6.55 15.24 23.88 91.98 50.36 -64.70 -39.87 1.84 0.01 98.15 0.26 0.15 1.24 92.47 5.87 0.00 0.01 0.00 35 L H H 24.62 18.35 11.04 29.07 91.75 53.63 -64.40 -37.46 2.19 0.01 97.80 0.23 0.16 1.56 90.20 7.85 0.00 0.00 0.00 36 R H H 151.91 4.00 17.19 22.49 91.01 57.45 -67.27 -25.79 24.86 0.03 75.11 0.54 0.81 23.75 66.98 7.86 0.02 0.01 0.02 37 K C T 152.58 1.38 18.40 18.75 94.48 55.42 -85.10 -8.37 58.62 0.05 41.34 1.33 2.34 54.96 34.96 6.35 0.01 0.02 0.05 38 L C S 33.01 17.93 8.25 25.34 116.55 105.01 -75.51 140.18 99.53 0.13 0.34 18.41 80.71 0.46 0.24 0.04 0.00 0.03 0.11 39 P C C 71.12 3.95 18.15 22.56 113.12 -105.20 -65.91 146.75 97.48 0.60 1.92 95.91 1.14 0.86 0.71 0.70 0.00 0.18 0.50 40 R C G 129.00 11.04 12.21 23.60 95.49 -122.29 -64.99 -29.42 53.05 1.01 45.93 20.31 9.87 21.43 2.48 44.92 0.00 0.47 0.51 41 D C G 101.88 3.87 15.64 20.49 98.77 61.04 -82.85 11.66 54.27 0.78 44.95 11.43 9.18 31.13 1.91 45.59 0.00 0.40 0.35 42 S C G 61.71 7.37 14.06 22.51 100.51 95.30 -89.30 0.09 53.69 0.98 45.33 20.13 12.52 18.08 1.84 46.53 0.00 0.48 0.43 43 S C C 31.22 11.86 11.99 25.03 118.06 100.03 -102.53 133.42 97.37 1.08 1.55 55.41 40.79 0.95 0.94 0.48 0.00 0.22 1.20 44 P C T 79.75 6.86 15.88 24.04 92.99 -132.22 -63.52 -24.38 68.32 0.31 31.37 6.67 8.21 52.79 13.45 18.41 0.02 0.14 0.32 45 T C T 59.88 10.37 15.70 26.78 93.82 61.85 -76.37 -15.33 66.14 0.49 33.37 6.17 6.76 52.09 14.71 19.56 0.03 0.24 0.45 46 R C T 91.96 12.63 15.79 28.59 94.82 79.84 -67.29 -21.89 57.47 1.44 41.08 16.42 14.26 27.43 16.19 23.95 0.05 0.66 1.05 47 L C C 67.82 12.35 15.94 28.48 98.79 60.66 -85.92 -2.58 62.50 2.73 34.76 27.43 12.64 22.92 15.29 18.61 0.06 1.29 1.75 48 T C C 68.42 8.57 19.10 28.04 109.91 89.30 -88.30 113.03 78.42 4.63 16.94 38.06 22.65 18.38 8.24 7.88 0.03 2.38 2.36 49 R C C 102.92 11.90 17.81 29.51 104.11 43.49 -96.59 48.33 83.35 9.74 6.92 44.80 18.97 19.55 2.69 4.34 0.01 7.59 2.05 50 R E B 99.77 9.59 20.21 30.35 125.05 115.74 -106.25 144.69 22.20 77.55 0.25 16.36 0.99 0.06 0.18 0.03 0.00 10.43 71.95 51 C C C 9.54 20.72 11.96 33.26 111.39 -111.53 -68.74 134.36 95.62 4.33 0.05 96.17 0.41 0.06 0.02 0.01 0.00 1.80 1.54 52 K C T 133.04 4.12 19.70 24.98 92.29 -139.79 -68.79 -26.69 99.85 0.05 0.10 0.33 4.92 94.64 0.01 0.06 0.00 0.02 0.02 53 V C T 65.84 10.36 16.92 27.71 99.89 43.02 -84.73 -41.53 99.87 0.03 0.09 0.04 2.22 97.68 0.00 0.05 0.00 0.01 0.01 54 T C T 54.26 8.45 15.74 25.49 102.74 19.31 -108.74 -15.28 99.87 0.03 0.09 0.20 3.22 96.50 0.00 0.05 0.00 0.01 0.01 55 G C C 42.42 6.13 16.11 23.63 94.81 -121.55 81.19 6.81 99.55 0.38 0.07 74.35 21.09 4.05 0.02 0.05 0.00 0.14 0.30 56 R C C 101.33 7.27 16.60 25.43 117.91 135.82 -81.32 142.36 96.27 3.69 0.03 74.70 21.82 0.17 0.01 0.02 0.00 1.89 1.39 57 P E B 68.33 8.44 18.89 27.89 112.99 -104.06 -66.42 147.18 22.93 76.81 0.26 16.70 2.28 0.17 0.19 0.06 0.00 11.89 68.71 58 R C C 89.30 14.31 18.02 31.51 125.28 -112.03 -106.02 146.92 89.26 10.48 0.27 78.26 9.81 1.21 0.06 0.28 0.00 7.64 2.75 59 G C C 17.24 13.78 19.03 32.83 130.72 152.13 -116.48 164.27 84.34 15.23 0.42 49.46 34.05 1.70 0.11 0.35 0.00 12.12 2.20 60 V E E 54.67 10.96 19.47 31.13 120.36 -79.45 -108.79 131.93 38.68 60.89 0.43 21.11 17.97 0.87 0.23 0.26 0.00 50.83 8.72 61 L E E 29.26 16.81 12.89 30.09 108.72 -154.32 -99.03 108.37 13.81 85.33 0.86 10.68 1.59 0.31 0.73 0.29 0.01 62.50 23.89 62 R H G 154.97 3.71 16.15 21.43 95.13 -165.44 -68.47 -35.27 34.40 0.65 64.94 1.32 2.06 28.90 1.42 65.72 0.00 0.52 0.06 63 K H G 139.57 2.60 16.90 20.07 93.19 49.44 -68.74 -37.73 34.68 0.17 65.15 0.42 1.38 31.44 1.29 65.31 0.00 0.11 0.04 64 F H G 62.39 12.58 13.81 27.16 99.19 28.67 -103.22 -2.60 29.52 0.10 70.38 0.41 1.33 26.64 1.88 69.65 0.00 0.05 0.03 65 E C T 114.74 6.31 20.63 28.04 93.44 -126.40 59.66 38.58 98.78 0.70 0.52 4.09 3.50 91.45 0.08 0.32 0.00 0.49 0.08 66 M E E 18.98 18.34 17.05 35.80 133.55 126.58 -125.97 156.94 12.74 87.12 0.14 9.28 3.23 0.22 0.13 0.06 0.00 62.82 24.26 67 S E C 15.53 13.88 21.74 36.49 119.10 -108.12 -73.07 157.36 48.12 51.76 0.11 50.35 0.44 0.05 0.11 0.03 0.00 43.71 5.31 68 R H H 69.70 16.72 19.89 36.20 91.96 -112.53 -59.73 -38.20 3.91 0.02 96.08 0.41 0.73 2.25 96.45 0.14 0.01 0.00 0.01 69 I H H 69.57 7.55 24.92 32.87 91.94 53.39 -63.90 -42.05 1.16 0.01 98.83 0.08 0.10 0.94 98.76 0.10 0.01 0.00 0.00 70 A H H 14.71 13.94 22.18 36.93 91.53 48.93 -64.52 -42.62 0.20 0.00 99.80 0.02 0.01 0.13 99.76 0.07 0.00 0.00 0.00 71 F H H 5.09 25.07 18.11 43.29 91.50 50.40 -63.30 -43.55 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 72 R H H 85.39 12.36 22.52 34.41 91.61 50.66 -63.27 -41.98 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 73 E H H 86.48 4.74 23.79 28.31 91.88 48.93 -64.56 -42.34 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 74 H H H 31.45 12.73 18.67 32.57 92.22 48.12 -65.01 -42.04 0.28 0.00 99.72 0.02 0.02 0.19 99.72 0.05 0.00 0.00 0.00 75 A H H 13.79 17.86 14.16 32.23 91.93 51.01 -63.62 -42.59 0.64 0.00 99.36 0.04 0.02 0.48 99.01 0.44 0.00 0.00 0.00 76 H H H 121.79 4.81 17.75 23.68 91.20 50.98 -65.98 -30.87 3.44 0.00 96.56 0.06 0.08 3.50 95.90 0.45 0.00 0.00 0.00 77 K C T 131.12 2.49 17.14 19.62 92.37 51.87 -85.90 -3.15 66.11 0.01 33.87 0.13 0.79 66.06 32.34 0.65 0.00 0.00 0.02 78 G C T 44.68 7.20 14.25 22.84 94.66 -112.40 78.80 13.38 99.16 0.01 0.83 0.84 2.66 95.78 0.63 0.08 0.00 0.00 0.01 79 Q C S 93.24 6.60 17.50 25.33 94.39 127.47 -77.92 -21.16 99.60 0.32 0.09 24.59 73.67 1.35 0.03 0.04 0.00 0.10 0.22 80 I C S 17.01 21.17 11.67 32.49 115.42 37.06 -125.55 105.58 99.06 0.82 0.13 25.64 72.64 0.73 0.04 0.06 0.00 0.23 0.66 81 P C T 78.73 5.62 20.37 26.75 112.38 -128.90 -64.82 137.86 99.08 0.43 0.49 7.22 11.24 80.50 0.06 0.48 0.00 0.25 0.25 82 G C T 44.82 5.30 19.67 25.77 95.29 20.56 85.29 -3.32 98.42 1.00 0.58 7.69 10.60 80.02 0.07 0.62 0.00 0.76 0.25 83 V C C 24.39 21.19 10.51 30.90 115.70 127.41 -85.59 131.09 89.73 9.71 0.56 80.64 7.94 0.82 0.21 0.35 0.00 4.34 5.69 84 K C C 119.90 4.16 20.29 25.38 125.86 -169.35 -119.86 146.91 86.32 12.46 1.22 81.35 3.65 1.08 0.45 0.75 0.00 7.47 5.25 85 K C C 108.43 10.83 13.70 25.01 111.44 -106.26 -71.26 138.03 75.29 9.58 15.13 50.51 14.18 9.84 2.00 14.29 0.00 7.21 1.98 86 S C C 62.36 8.18 11.42 20.62 108.13 -124.35 -85.90 80.70 81.46 3.25 15.29 43.53 18.72 17.82 1.04 16.05 0.00 2.12 0.72 87 S C C 83.98 2.87 11.89 16.08 104.03 83.26 -89.22 8.40 86.23 2.29 11.47 69.53 3.71 12.51 1.12 10.99 0.00 1.46 0.69 88 W C C 144.63 7.85 11.46 20.32 102.62 80.09 -85.75 10.05 99.86 0.10 0.04 99.71 0.13 0.07 0.01 0.01 0.00 0.05 0.02