# 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 127.69 3.66 10.27 15.72 115.32 -151.78 -94.59 131.07 99.74 0.23 0.03 99.66 0.12 0.05 0.02 0.00 0.00 0.12 0.03 1 S C C 77.83 3.55 8.31 13.86 116.31 -152.46 -94.90 144.34 88.92 7.62 3.46 85.01 1.21 3.54 1.46 1.21 0.00 5.45 2.12 2 K C C 156.46 1.93 8.87 12.44 113.73 -132.59 -91.86 132.52 80.34 14.15 5.51 55.99 16.09 8.22 2.00 3.50 0.00 11.31 2.88 3 R C C 161.90 3.02 8.65 13.72 116.44 -147.21 -98.76 133.57 76.81 17.44 5.75 56.92 13.58 6.02 2.27 3.60 0.01 14.03 3.59 4 T C C 83.63 6.03 8.54 16.30 117.95 -146.72 -100.32 139.60 76.35 19.22 4.43 63.33 8.42 3.74 2.09 2.41 0.00 16.26 3.74 5 K C C 146.55 2.61 11.87 16.11 116.49 -142.07 -96.51 134.31 74.17 21.34 4.49 53.67 15.73 4.52 2.29 2.27 0.01 18.32 3.18 6 K C C 137.06 4.29 10.35 16.73 114.23 -122.41 -85.41 130.51 70.82 24.54 4.64 53.66 12.05 4.48 2.46 2.34 0.01 20.64 4.36 7 V C C 92.39 5.07 10.18 17.06 116.19 -172.68 -112.34 134.49 72.30 22.87 4.83 53.04 13.51 4.73 3.12 2.14 0.02 17.45 5.98 8 G C C 38.13 4.20 13.18 18.58 125.11 1.10 107.36 -169.55 73.95 12.53 13.52 38.53 23.78 12.42 7.62 5.56 0.13 8.67 3.29 9 I C T 116.45 3.88 12.31 17.47 95.77 -49.54 -68.87 -28.89 64.42 5.81 29.77 16.29 15.96 33.11 13.24 15.25 0.27 3.64 2.23 10 S C T 67.02 5.04 11.62 18.05 96.84 58.82 -75.21 -22.58 63.81 5.02 31.17 13.22 13.30 37.12 13.03 17.77 0.24 3.27 2.05 11 G C C 39.71 6.61 11.77 19.67 99.32 63.38 -70.36 -23.71 59.07 7.45 33.48 23.51 15.09 22.01 11.38 20.75 0.11 4.80 2.35 12 K C C 141.68 2.93 13.14 17.19 99.84 63.25 -83.23 -11.00 62.94 11.58 25.48 24.21 16.12 23.96 10.66 13.75 0.23 7.92 3.16 13 Y C C 147.52 4.22 11.51 17.15 106.25 56.73 -97.91 28.25 64.64 16.87 18.49 27.21 16.01 22.98 8.61 9.02 0.31 11.23 4.63 14 G C C 41.45 5.07 11.68 18.17 123.68 75.94 -96.70 174.12 78.23 16.00 5.77 44.79 23.07 10.92 2.69 3.09 0.02 11.66 3.77 15 T C C 89.53 4.97 10.41 17.05 115.99 -92.20 -95.87 137.32 73.04 18.48 8.47 47.15 16.10 9.35 4.97 3.90 0.04 13.36 5.13 16 R C C 173.90 2.14 11.25 14.61 100.82 -159.70 -85.13 -7.52 70.85 15.83 13.33 35.40 21.16 15.28 8.35 4.97 0.11 11.15 3.59 17 Y C C 152.92 3.31 10.54 15.21 109.00 47.63 -103.46 63.41 69.85 12.72 17.43 26.37 22.09 22.69 11.73 5.25 0.21 8.44 3.21 18 G C C 36.15 4.44 12.64 18.51 114.45 -23.71 89.95 158.87 75.04 5.42 19.54 43.96 15.42 15.34 15.79 4.45 0.02 3.27 1.75 19 A H H 66.60 4.41 10.94 16.87 95.09 -79.10 -65.16 -33.32 28.76 2.21 69.03 15.60 6.60 8.76 60.35 6.51 0.06 1.55 0.56 20 S H H 75.43 1.58 13.66 15.19 93.12 57.28 -66.60 -36.77 19.51 2.57 77.92 9.51 3.78 7.89 68.56 7.49 0.10 2.15 0.52 21 L H H 81.92 4.74 12.15 18.49 92.95 52.02 -67.13 -37.28 11.57 2.17 86.26 6.15 2.14 4.39 76.69 8.25 0.05 2.01 0.32 22 R H H 109.85 7.43 11.51 20.24 93.28 55.27 -66.72 -37.06 10.81 2.16 87.03 5.78 1.88 4.09 78.53 7.36 0.04 2.03 0.30 23 K H H 131.73 2.17 14.60 17.17 94.00 54.99 -67.75 -35.65 15.77 3.28 80.96 7.05 2.60 6.86 72.82 7.06 0.08 3.07 0.47 24 L H H 103.77 2.42 14.04 16.89 94.74 51.73 -71.14 -33.60 20.69 5.18 74.13 9.34 3.48 8.64 67.33 5.60 0.10 4.79 0.72 25 V H H 65.02 8.43 10.43 20.16 97.34 62.31 -72.87 -33.59 26.24 9.32 64.44 15.27 4.62 7.26 58.91 4.19 0.09 8.51 1.17 26 K H H 126.15 4.46 13.08 19.02 98.59 64.66 -70.74 -29.03 37.13 9.98 52.89 21.60 5.25 9.74 48.51 4.32 0.07 9.42 1.08 27 K H H 143.19 2.59 13.56 17.01 98.92 55.30 -77.88 -17.47 42.08 13.23 44.70 21.39 6.94 12.97 39.50 5.42 0.13 12.33 1.32 28 Q C H 99.52 6.92 11.79 19.96 105.60 67.12 -82.98 17.94 40.36 22.61 37.03 25.70 7.07 6.97 32.59 4.95 0.10 20.85 1.76 29 E C E 109.17 6.59 13.21 21.11 108.88 73.26 -85.93 106.93 34.86 34.43 30.71 24.35 4.43 4.88 27.68 4.27 0.06 32.13 2.20 30 V E E 74.88 9.38 12.52 22.80 108.87 89.75 -96.43 94.88 34.98 36.30 28.71 23.97 5.28 5.02 25.05 4.73 0.09 33.45 2.42 31 T C E 69.16 7.79 13.83 22.89 116.76 -154.29 -106.44 129.62 42.59 33.51 23.89 30.13 5.67 5.79 19.91 4.85 0.08 31.22 2.35 32 Q C C 101.77 7.58 13.46 22.19 111.33 -159.39 -96.82 116.46 55.16 26.74 18.10 29.93 13.67 11.52 13.31 5.18 0.18 23.94 2.26 33 H C C 121.46 6.13 13.72 21.07 106.77 57.95 -91.97 56.98 59.98 26.57 13.45 34.19 14.26 12.20 8.49 4.99 0.08 23.36 2.42 34 A C C 45.35 8.70 13.50 23.59 121.85 122.53 -101.66 149.22 68.72 25.84 5.44 54.31 9.48 4.20 3.10 2.26 0.00 25.06 1.60 35 R C C 148.23 4.95 16.34 22.92 116.07 -121.18 -91.88 131.63 54.04 43.23 2.72 44.73 6.48 2.17 1.45 1.28 0.00 41.73 2.15 36 Y E E 55.48 14.51 12.84 27.96 131.39 176.75 -131.09 150.80 23.10 75.63 1.27 18.94 3.90 1.00 0.84 0.60 0.00 71.74 2.98 37 T E E 77.38 4.77 20.00 25.52 118.29 -131.90 -104.74 132.00 15.19 84.49 0.32 13.11 1.09 0.14 0.30 0.10 0.00 61.14 24.11 38 C C C 12.07 19.58 9.42 29.16 110.00 -119.83 -73.88 126.81 90.47 9.47 0.06 90.28 0.83 0.13 0.02 0.03 0.00 7.62 1.09 39 T C T 92.55 3.18 17.88 21.89 92.65 -149.24 -70.14 -23.09 99.40 0.26 0.35 1.04 9.40 89.01 0.02 0.30 0.00 0.17 0.06 40 F C T 106.05 7.61 15.02 23.59 99.85 45.66 -83.65 -40.80 99.52 0.14 0.34 0.20 4.90 94.52 0.01 0.27 0.00 0.06 0.04 41 C C T 59.86 6.83 13.38 21.80 102.90 19.37 -108.83 -14.29 99.53 0.17 0.30 0.56 5.41 93.62 0.01 0.26 0.00 0.09 0.04 42 G C C 50.23 3.20 14.39 18.87 95.78 -120.76 80.57 6.56 98.54 1.26 0.20 77.88 15.67 4.96 0.05 0.17 0.00 0.72 0.56 43 K C C 98.58 5.52 13.80 21.24 120.31 136.44 -81.35 147.33 92.46 7.43 0.11 79.41 13.01 0.49 0.03 0.09 0.00 5.45 1.51 44 N E E 99.63 6.17 16.71 24.22 110.90 -115.83 -80.71 124.64 15.05 84.72 0.23 12.17 1.74 0.21 0.17 0.11 0.00 58.23 27.36 45 S E E 27.98 13.15 16.62 30.35 134.62 157.49 -141.73 163.69 35.00 64.87 0.12 31.40 2.83 0.25 0.04 0.08 0.00 64.62 0.78 46 V E E 30.37 17.75 16.37 34.18 124.81 -129.43 -117.45 137.79 21.88 77.96 0.16 19.78 1.57 0.22 0.07 0.10 0.00 74.15 4.13 47 R E E 116.06 7.30 21.83 29.91 122.92 -159.17 -115.47 135.01 22.17 77.67 0.16 20.17 1.50 0.23 0.06 0.09 0.00 76.39 1.56 48 R E E 76.66 16.29 12.99 28.95 110.94 -123.91 -79.51 123.89 33.31 66.49 0.20 30.84 1.74 0.31 0.07 0.13 0.00 65.20 1.71 49 T C E 83.35 4.59 18.96 24.48 101.42 176.12 -102.89 -14.09 54.88 44.87 0.25 40.98 12.90 1.10 0.06 0.22 0.00 43.27 1.48 50 A C E 43.74 5.76 19.08 25.74 138.72 13.01 -148.64 163.68 58.88 40.67 0.45 20.91 34.85 5.02 0.09 0.43 0.00 35.35 3.34 51 V C T 82.34 8.54 18.76 27.76 110.91 -78.40 -66.89 133.78 95.54 4.01 0.45 5.48 39.53 50.97 0.03 0.44 0.00 3.05 0.50 52 G C T 17.34 13.83 18.89 32.87 98.38 18.15 88.72 -5.67 92.88 6.89 0.23 4.89 36.28 51.82 0.01 0.25 0.00 6.51 0.25 53 I E E 42.81 11.47 20.03 32.90 121.82 97.37 -116.21 129.69 12.65 87.34 0.01 10.68 1.49 0.07 0.00 0.01 0.00 87.32 0.43 54 W E E 29.34 18.26 17.44 36.16 127.41 -173.70 -123.81 143.85 1.08 98.92 0.00 1.00 0.04 0.00 0.00 0.00 0.00 98.89 0.07 55 S E E 38.52 8.81 23.05 32.63 123.24 -154.98 -116.53 135.99 0.97 99.02 0.00 0.93 0.03 0.00 0.00 0.00 0.00 98.87 0.16 56 C E E 9.45 18.90 11.87 31.89 109.68 -123.91 -80.46 121.45 23.30 76.67 0.02 22.68 0.59 0.05 0.01 0.02 0.00 75.69 0.97 57 K C T 123.85 4.28 18.33 23.73 94.18 -156.63 -69.78 -29.59 97.31 0.36 2.33 0.57 4.65 91.90 0.05 2.52 0.00 0.24 0.07 58 S C T 66.20 4.87 15.92 21.92 98.04 48.22 -76.30 -39.71 97.10 0.11 2.78 0.21 2.86 93.87 0.03 2.93 0.00 0.06 0.03 59 C C T 58.58 6.88 13.30 21.83 101.44 20.30 -106.42 -8.96 97.91 0.15 1.94 0.65 3.52 93.42 0.04 2.25 0.00 0.08 0.04 60 K C C 152.38 2.96 14.93 19.40 94.23 -126.62 64.26 25.41 98.00 1.57 0.43 50.02 7.24 40.81 0.08 0.32 0.00 1.27 0.25 61 K C C 97.60 5.81 14.17 21.94 120.94 139.43 -84.95 148.55 61.41 38.56 0.03 57.79 2.17 0.13 0.01 0.02 0.00 39.27 0.61 62 T E E 84.53 6.77 16.12 24.65 120.42 -130.63 -103.55 138.21 1.09 98.91 0.00 1.09 0.04 0.00 0.00 0.00 0.00 98.18 0.68 63 M E E 51.71 15.34 13.32 28.83 128.79 -173.12 -128.17 145.56 1.51 98.48 0.00 1.46 0.05 0.01 0.00 0.00 0.00 98.28 0.19 64 A E E 67.84 6.17 18.52 25.57 121.86 -137.09 -100.14 144.15 25.69 74.21 0.10 20.02 4.56 0.65 0.01 0.09 0.00 74.28 0.38 65 G C C 34.24 7.57 17.90 26.49 128.76 35.70 121.94 -175.47 64.17 35.32 0.52 35.68 24.22 4.97 0.06 0.54 0.00 33.47 1.06 66 G C C 33.67 9.05 18.07 27.53 130.02 31.75 132.36 -174.84 74.47 23.94 1.59 46.61 21.35 7.42 0.26 1.61 0.00 20.27 2.49 67 A C S 54.78 12.33 15.95 28.04 101.80 -70.08 -81.99 -11.65 77.73 19.34 2.93 32.23 32.91 13.87 0.44 2.65 0.01 14.98 2.91 68 Y C C 108.73 10.48 17.36 28.05 115.21 75.81 -105.57 133.83 70.40 26.32 3.27 31.90 29.20 10.84 0.81 2.54 0.05 18.47 6.20 69 T C C 70.15 7.98 20.14 28.58 117.03 -115.07 -105.50 126.56 77.80 20.06 2.13 56.89 15.38 5.04 0.64 1.72 0.00 15.65 4.67 70 V C C 48.92 16.69 13.16 29.26 104.75 -146.50 -86.72 65.05 84.73 12.96 2.32 58.05 16.02 10.83 0.76 1.66 0.01 8.97 3.69 71 S C C 73.59 5.34 17.41 23.56 101.31 111.10 -98.54 6.79 94.30 4.10 1.60 58.33 26.99 9.27 0.51 1.13 0.00 2.27 1.50 72 T C S 51.08 8.07 13.46 23.17 125.25 103.66 -106.95 157.06 95.98 1.66 2.36 36.14 58.97 0.82 2.36 0.22 0.00 0.36 1.13 73 P H H 103.09 2.13 17.08 19.40 91.77 -110.52 -59.33 -36.95 6.18 0.05 93.77 1.28 1.26 3.61 92.78 1.01 0.02 0.02 0.02 74 A H H 52.49 6.25 17.30 24.50 91.93 52.91 -65.14 -39.68 3.82 0.04 96.15 0.85 0.42 2.38 95.26 1.06 0.01 0.02 0.01 75 A H H 14.22 15.42 14.09 30.47 91.95 50.64 -64.89 -41.30 1.13 0.01 98.86 0.39 0.13 0.54 98.17 0.77 0.00 0.01 0.00 76 A H H 45.07 6.35 18.65 26.07 91.77 51.62 -63.53 -41.37 0.46 0.01 99.53 0.15 0.04 0.20 99.37 0.23 0.00 0.00 0.00 77 A H H 58.03 3.00 21.19 23.54 91.75 50.16 -64.43 -41.36 0.49 0.01 99.50 0.13 0.04 0.25 99.45 0.13 0.00 0.00 0.00 78 M H H 60.30 10.43 18.47 29.57 91.94 49.52 -65.23 -41.65 0.40 0.00 99.60 0.10 0.03 0.20 99.60 0.08 0.00 0.00 0.00 79 R H H 94.21 10.99 18.28 29.39 91.91 51.14 -63.85 -41.30 0.33 0.00 99.67 0.08 0.02 0.16 99.69 0.05 0.00 0.00 0.00 80 S H H 55.41 3.10 20.39 23.10 91.52 50.47 -63.86 -41.54 0.45 0.00 99.54 0.10 0.03 0.23 99.60 0.04 0.00 0.00 0.00 81 T H H 60.45 4.65 19.13 24.27 91.89 50.08 -64.74 -41.76 0.30 0.00 99.70 0.05 0.02 0.17 99.74 0.03 0.00 0.00 0.00 82 L H H 47.16 10.36 16.07 27.64 91.83 50.68 -64.52 -41.78 0.18 0.00 99.82 0.03 0.01 0.10 99.84 0.03 0.00 0.00 0.00 83 R H H 119.63 3.85 18.42 22.70 91.44 50.91 -63.94 -41.25 0.21 0.00 99.79 0.03 0.01 0.13 99.81 0.03 0.00 0.00 0.00 84 R H H 131.27 2.07 18.09 19.56 91.71 50.31 -64.45 -41.51 0.37 0.00 99.62 0.04 0.02 0.24 99.65 0.05 0.00 0.00 0.00 85 L H H 70.51 5.42 15.41 22.12 91.91 50.14 -64.77 -41.12 0.49 0.00 99.50 0.07 0.03 0.30 99.53 0.08 0.00 0.00 0.00 86 R H H 113.62 4.67 14.72 20.48 92.02 50.88 -64.52 -40.92 0.97 0.00 99.03 0.17 0.07 0.59 99.00 0.17 0.00 0.00 0.00 87 E H H 111.72 1.76 14.47 16.13 91.90 50.26 -65.00 -40.20 2.19 0.01 97.80 0.36 0.16 1.43 97.65 0.39 0.00 0.00 0.00 88 I H H 103.47 2.13 12.41 15.19 92.64 49.89 -66.76 -38.81 4.79 0.03 95.18 0.84 0.43 3.16 94.83 0.72 0.00 0.01 0.01 89 T H H 89.93 2.89 10.66 14.81 93.55 50.33 -70.84 -30.62 16.62 0.13 83.25 2.92 1.63 11.29 83.10 0.92 0.02 0.05 0.06 90 E H H 141.47 1.47 10.31 12.54 95.87 53.61 -77.60 -16.85 47.42 0.40 52.18 17.91 1.59 25.49 53.56 1.07 0.01 0.14 0.23 91 A C C 74.72 3.07 10.65 15.21 102.74 80.01 -75.52 31.82 99.73 0.09 0.18 99.27 0.22 0.26 0.18 0.01 0.00 0.04 0.02