# 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 114.80 6.15 11.17 18.64 112.05 144.38 -93.07 124.96 99.88 0.11 0.02 99.77 0.11 0.04 0.01 0.00 0.00 0.05 0.01 1 G C C 48.29 3.75 9.66 15.10 119.01 -145.74 -98.96 168.84 95.05 3.80 1.15 91.51 1.21 2.68 0.51 0.38 0.00 2.41 1.31 2 K C C 160.72 1.53 9.02 11.81 112.45 -96.32 -87.13 131.76 89.31 7.38 3.31 67.18 16.26 5.68 1.53 1.78 0.00 4.65 2.91 3 R C C 160.13 3.27 7.53 12.79 114.65 -135.02 -87.58 135.66 86.17 9.12 4.71 71.06 10.84 3.58 2.52 2.25 0.00 5.54 4.21 4 K C C 140.65 2.90 8.80 13.56 111.80 -125.54 -86.19 137.78 83.72 8.41 7.87 73.15 6.43 3.55 4.46 3.39 0.00 5.16 3.87 5 K C C 150.50 2.44 8.98 13.09 110.10 -137.31 -86.95 121.14 82.67 4.52 12.81 63.63 11.08 7.61 5.33 7.72 0.00 2.72 1.90 6 S C C 72.54 4.61 8.00 14.22 109.57 -125.43 -88.15 112.43 82.51 3.46 14.02 55.52 15.94 10.87 4.49 9.69 0.00 2.00 1.48 7 T C C 108.14 1.99 9.22 12.50 101.89 -154.58 -86.48 -0.37 85.91 3.14 10.96 50.73 25.27 10.18 3.66 6.97 0.00 1.64 1.54 8 R C C 160.94 2.38 9.32 13.41 115.36 91.69 -90.12 133.86 94.92 2.08 3.01 53.10 39.14 2.91 1.34 1.36 0.00 0.83 1.32 9 K C C 150.02 2.29 10.32 14.26 114.69 -111.10 -79.37 137.35 99.15 0.55 0.31 87.30 11.48 0.40 0.18 0.11 0.00 0.23 0.30 10 P C C 78.60 7.34 8.03 16.90 114.47 -107.22 -66.99 148.25 98.97 0.47 0.56 95.36 2.94 0.80 0.22 0.22 0.00 0.19 0.27 11 T C C 99.66 2.65 10.96 15.16 113.27 -109.98 -78.17 144.05 98.12 0.91 0.96 92.88 4.19 1.15 0.37 0.44 0.00 0.40 0.57 12 K C C 153.43 2.43 10.61 14.68 112.43 -104.39 -79.96 134.90 96.50 2.00 1.50 88.22 6.71 1.64 0.51 0.85 0.00 1.04 1.02 13 R C C 146.17 5.42 8.69 15.92 114.66 -125.76 -87.43 136.09 93.58 4.99 1.44 86.03 6.11 1.40 0.55 0.81 0.00 2.89 2.22 14 L C C 108.55 4.44 9.98 16.20 113.23 -134.45 -86.83 129.23 92.24 6.61 1.15 85.44 5.84 1.00 0.48 0.60 0.00 4.02 2.61 15 V C C 102.90 4.66 9.86 16.37 114.81 -156.34 -100.59 128.79 92.93 6.03 1.04 81.83 10.04 1.02 0.45 0.55 0.00 3.96 2.14 16 Q C C 118.30 3.38 11.67 16.78 117.59 -137.93 -95.87 138.58 93.87 5.36 0.77 84.57 8.59 0.91 0.28 0.43 0.00 3.83 1.40 17 K C C 145.33 3.42 12.73 18.03 113.78 -110.17 -76.35 139.80 86.75 12.07 1.18 78.57 6.24 1.21 0.54 0.65 0.00 6.21 6.58 18 L C C 59.84 13.52 8.69 22.15 115.35 -117.83 -84.05 142.76 93.62 5.62 0.75 83.06 9.23 1.27 0.27 0.47 0.00 3.58 2.11 19 D C C 109.42 2.58 16.58 19.64 105.14 -119.75 -78.53 89.89 94.48 5.10 0.42 81.01 11.92 1.53 0.10 0.31 0.00 4.40 0.71 20 T C C 57.63 10.76 12.77 24.39 124.59 105.23 -121.08 149.49 72.52 27.07 0.41 57.82 12.99 1.38 0.12 0.35 0.00 24.91 2.42 21 K E E 118.99 6.73 16.46 24.92 124.67 -148.09 -118.46 139.59 44.09 55.68 0.23 38.39 4.19 0.38 0.10 0.17 0.00 48.84 7.93 22 F E E 46.94 14.58 14.71 30.02 130.57 -171.88 -129.11 151.66 44.98 54.88 0.14 38.93 5.18 0.24 0.08 0.09 0.00 49.47 6.01 23 N C C 89.57 5.37 21.84 27.73 116.86 -121.09 -91.45 138.36 55.44 44.38 0.18 52.09 2.90 0.17 0.13 0.08 0.00 30.78 13.85 24 C C C 8.35 22.12 10.80 33.08 110.07 -116.16 -75.81 127.94 91.64 8.23 0.13 90.03 2.08 0.20 0.05 0.06 0.00 4.40 3.16 25 L C T 87.64 6.13 20.18 27.36 93.13 -143.59 -67.46 -26.26 98.26 0.54 1.20 1.27 17.99 78.75 0.04 1.42 0.00 0.32 0.21 26 F C T 84.68 11.11 16.89 28.27 99.63 43.91 -85.01 -38.62 98.76 0.27 0.97 0.35 12.60 85.64 0.01 1.19 0.00 0.12 0.09 27 C C T 42.80 10.46 14.19 25.89 103.77 22.52 -109.08 -5.44 97.79 1.01 1.20 3.41 24.41 69.53 0.04 1.64 0.00 0.51 0.45 28 N C C 114.60 3.66 17.00 22.06 94.50 -121.86 65.24 25.83 97.24 2.40 0.36 71.18 15.96 10.04 0.07 0.36 0.00 1.16 1.21 29 H C C 67.58 9.98 12.00 23.45 120.52 138.76 -88.27 148.48 80.98 17.97 1.06 56.28 20.44 2.98 0.36 0.83 0.00 6.67 12.43 30 E C S 137.92 2.90 17.82 21.54 95.59 -123.93 -69.96 -28.07 84.76 13.65 1.59 6.02 43.02 37.08 0.11 1.52 0.00 10.41 1.84 31 K C S 115.41 6.18 19.81 26.50 115.36 32.16 -112.72 122.29 84.61 14.63 0.76 8.93 44.83 30.93 0.03 0.87 0.00 13.70 0.70 32 S C C 22.16 15.74 16.53 32.41 121.44 -117.13 -95.18 157.38 58.80 40.94 0.26 51.90 4.99 0.66 0.03 0.28 0.00 41.02 1.13 33 V E E 10.78 22.27 16.16 38.57 126.12 -121.32 -123.73 139.65 2.82 97.17 0.00 2.77 0.10 0.01 0.00 0.00 0.00 96.68 0.44 34 S E E 47.77 7.65 25.82 33.82 122.76 -154.15 -111.83 138.46 0.57 99.42 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.02 35 C E E 14.54 23.27 13.29 36.03 130.47 -170.06 -131.28 143.95 0.73 99.27 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.26 0.01 36 T E E 71.54 4.45 25.54 30.11 121.27 -161.08 -118.01 133.79 0.52 99.47 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 37 L E E 41.68 19.27 12.12 30.91 116.75 -146.79 -101.36 126.69 0.67 99.32 0.00 0.60 0.03 0.00 0.00 0.00 0.00 99.34 0.02 38 D E E 56.49 5.31 17.34 24.38 110.03 -160.27 -111.02 107.89 5.33 94.64 0.02 5.16 0.17 0.02 0.01 0.01 0.00 94.35 0.29 39 K C T 124.51 7.08 11.59 20.82 93.07 -168.75 -66.35 -31.33 90.56 0.55 8.89 0.69 2.38 87.29 0.18 8.99 0.00 0.39 0.08 40 K C T 172.63 0.43 15.06 13.04 91.84 54.43 -66.65 -36.78 90.78 0.22 9.01 0.35 1.93 88.39 0.15 9.01 0.00 0.13 0.05 41 N C T 92.27 3.19 14.93 18.82 95.95 32.10 -95.46 -8.00 93.09 0.11 6.80 0.47 2.09 89.58 0.10 7.68 0.00 0.06 0.03 42 S C T 33.87 12.52 14.06 28.14 93.90 -127.64 60.94 36.52 99.60 0.17 0.22 2.40 1.95 95.34 0.04 0.11 0.00 0.14 0.01 43 I E E 42.92 10.12 20.21 31.91 130.68 128.59 -126.33 148.12 1.30 98.70 0.00 1.13 0.06 0.00 0.00 0.00 0.00 98.73 0.08 44 G E E 5.91 18.69 18.06 36.93 138.31 157.27 -143.57 166.20 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 45 T E E 45.75 9.56 25.53 35.93 122.95 -132.99 -116.94 134.47 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 46 L E E 6.02 24.13 16.66 41.36 124.06 -169.73 -120.86 134.44 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 47 S E E 40.44 7.30 25.38 33.33 119.09 -160.51 -114.69 129.50 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 48 C E E 6.87 21.37 12.03 34.21 110.05 -133.18 -79.85 123.23 10.36 89.63 0.01 10.46 0.18 0.01 0.00 0.01 0.00 88.92 0.41 49 K C T 120.36 4.58 19.57 25.19 93.67 -153.48 -70.29 -27.40 99.17 0.22 0.61 0.20 3.27 95.95 0.02 0.37 0.00 0.14 0.04 50 I C T 89.21 7.04 16.78 24.69 99.10 45.89 -81.41 -41.44 99.35 0.09 0.56 0.07 2.05 97.48 0.01 0.31 0.00 0.04 0.04 51 C C T 59.41 7.04 14.49 23.03 101.64 20.24 -105.23 -12.22 99.42 0.07 0.51 0.28 2.21 97.12 0.03 0.30 0.00 0.03 0.02 52 G C C 50.20 3.60 16.12 21.04 94.86 -122.58 77.05 10.02 99.36 0.42 0.22 81.86 5.19 12.34 0.07 0.11 0.00 0.34 0.10 53 Q C C 68.06 8.81 13.73 24.46 117.13 148.17 -75.48 142.74 88.22 11.76 0.02 87.85 0.79 0.06 0.00 0.01 0.00 10.89 0.39 54 S E E 65.75 8.17 16.37 26.53 127.17 -161.36 -124.95 144.45 1.76 98.24 0.00 1.62 0.07 0.00 0.00 0.00 0.00 98.12 0.18 55 F E E 52.53 14.58 15.77 31.10 136.28 174.24 -142.93 152.42 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 56 Q E E 100.40 8.64 17.82 28.36 128.09 -160.33 -130.01 141.65 1.10 98.90 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.91 0.04 57 T E E 29.28 14.99 15.19 30.89 135.17 172.79 -140.62 154.62 11.67 88.31 0.02 11.20 0.35 0.03 0.00 0.01 0.00 88.27 0.14 58 R E E 153.77 3.09 21.91 25.30 113.19 -112.11 -81.26 132.47 23.70 76.19 0.11 22.03 1.29 0.16 0.03 0.06 0.00 75.59 0.83 59 I C C 29.26 20.89 10.35 30.19 116.89 -153.15 -103.86 126.89 61.59 36.19 2.22 57.36 2.68 0.93 0.86 1.24 0.00 34.26 2.66 60 N C C 98.86 3.61 19.24 23.18 102.68 177.52 -98.29 -18.96 74.87 13.24 11.89 48.32 16.45 10.46 2.49 9.77 0.01 10.29 2.20 61 S C C 54.88 6.71 16.89 24.27 124.93 25.07 -122.04 144.49 70.36 6.40 23.25 27.35 19.13 25.79 3.91 18.04 0.04 3.61 2.13 62 L C T 83.86 12.49 11.07 23.42 98.61 -119.54 -80.80 -3.04 73.56 4.71 21.73 27.47 17.89 29.64 3.82 16.71 0.03 2.47 1.97 63 S C C 80.91 3.08 15.00 19.10 97.55 72.28 -83.91 -9.23 79.81 3.86 16.33 28.86 27.63 24.41 3.36 11.97 0.02 1.88 1.86 64 Q C S 99.62 4.72 13.80 20.09 120.39 80.09 -98.76 142.13 91.33 3.14 5.53 23.20 61.21 7.25 3.19 2.02 0.01 1.66 1.47 65 P C C 90.80 5.62 14.68 21.62 109.67 -101.22 -68.23 135.64 82.91 6.46 10.63 52.46 21.25 9.42 7.32 3.45 0.01 3.98 2.10 66 V C C 50.32 14.38 12.05 26.56 118.23 -152.84 -104.91 131.66 58.58 26.79 14.63 43.82 9.37 4.26 12.40 3.18 0.07 16.23 10.67 67 D C C 80.11 5.49 20.30 26.28 105.98 -135.53 -84.08 97.97 63.00 21.60 15.40 56.71 3.20 2.70 13.80 2.33 0.01 16.83 4.42 68 V H H 27.68 17.66 15.68 33.46 95.56 157.68 -70.73 -32.99 29.61 3.37 67.02 12.77 4.91 13.19 61.66 4.10 0.15 2.39 0.82 69 Y H H 71.17 14.79 17.50 31.94 92.52 59.88 -64.38 -39.75 14.28 0.69 85.04 4.28 2.07 8.58 81.12 3.21 0.10 0.42 0.23 70 S H H 53.52 4.21 20.51 24.98 92.05 52.35 -65.13 -40.87 4.06 0.07 95.87 1.41 0.55 2.21 93.34 2.40 0.01 0.04 0.03 71 D H H 66.40 6.54 20.49 27.48 92.09 50.21 -65.95 -39.92 1.84 0.02 98.14 0.46 0.21 1.13 97.18 1.00 0.00 0.01 0.00 72 W H H 34.82 18.11 16.80 35.08 92.40 49.61 -65.72 -42.56 0.87 0.01 99.12 0.17 0.08 0.56 98.83 0.36 0.00 0.00 0.00 73 F H H 71.79 10.50 19.39 30.46 91.55 51.44 -62.55 -43.00 0.24 0.00 99.76 0.05 0.02 0.13 99.74 0.06 0.00 0.00 0.00 74 D H H 82.81 2.14 22.88 23.46 91.56 49.36 -64.25 -41.70 0.17 0.00 99.82 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 75 A H H 27.67 8.92 18.49 28.91 91.69 50.56 -64.05 -41.94 0.14 0.00 99.86 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 76 V H H 23.14 15.29 15.61 31.77 91.77 49.92 -63.88 -42.61 0.14 0.00 99.86 0.02 0.01 0.09 99.86 0.03 0.00 0.00 0.00 77 E H H 97.83 3.77 18.78 22.89 91.56 50.11 -63.55 -41.46 0.30 0.00 99.70 0.04 0.02 0.19 99.71 0.05 0.00 0.00 0.00 78 E H H 111.05 1.92 17.99 19.10 91.94 49.80 -64.74 -41.24 1.07 0.00 98.93 0.10 0.06 0.79 98.92 0.13 0.00 0.00 0.00 79 V H H 54.43 8.91 13.24 23.49 92.66 49.23 -66.46 -39.35 3.72 0.02 96.27 0.37 0.28 2.79 96.24 0.31 0.00 0.01 0.01 80 N H H 85.23 6.68 11.91 19.85 93.40 50.87 -71.91 -24.43 17.04 0.11 82.86 2.33 1.68 12.39 82.76 0.71 0.03 0.04 0.05 81 S C H 86.19 1.52 12.58 14.43 96.53 57.18 -77.52 -10.05 50.46 0.46 49.08 7.79 7.10 34.52 48.44 1.65 0.05 0.17 0.27 82 G C T 57.66 2.22 10.91 14.41 101.03 -2.55 63.55 5.64 71.76 1.15 27.08 23.59 11.40 36.51 25.05 2.39 0.02 0.47 0.57 83 R C C 166.68 2.27 9.47 13.40 108.43 112.17 -88.81 64.89 89.33 1.24 9.44 76.19 1.76 11.09 8.61 1.08 0.00 0.61 0.67 84 G C C 52.87 3.22 11.98 16.64 109.84 -37.84 73.81 23.32 99.90 0.08 0.03 99.71 0.13 0.09 0.01 0.00 0.00 0.04 0.01