# 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 116.46 5.69 11.90 18.86 115.01 -149.65 -92.04 130.46 99.77 0.19 0.04 99.70 0.10 0.05 0.02 0.00 0.00 0.09 0.03 1 A C C 70.34 5.38 9.33 16.44 115.13 -148.59 -88.05 142.74 88.03 6.63 5.35 83.35 1.33 4.34 2.58 1.74 0.00 4.63 2.03 2 K C C 150.74 2.36 10.30 14.36 113.01 -127.75 -88.61 132.14 81.15 11.38 7.47 57.02 15.08 8.95 3.20 4.22 0.01 8.70 2.82 3 R C C 150.38 4.56 9.81 16.31 115.96 -137.39 -95.95 134.60 79.13 13.02 7.85 59.03 13.46 6.38 3.62 4.34 0.01 9.63 3.54 4 T C C 73.75 8.18 9.67 19.05 116.25 -141.50 -95.86 140.55 80.74 12.26 6.99 65.92 9.65 4.68 3.77 3.30 0.00 9.37 3.31 5 K C C 141.19 3.27 13.45 18.32 113.41 -135.83 -90.92 130.84 79.14 12.75 8.11 52.13 20.55 6.60 4.77 3.35 0.02 9.93 2.65 6 K C C 130.11 5.50 11.93 19.28 113.74 -117.45 -88.07 129.08 74.42 17.23 8.35 53.56 14.11 6.36 4.99 3.58 0.02 13.10 4.28 7 V C C 81.18 7.36 11.36 20.18 116.53 -173.07 -109.51 134.08 75.46 16.68 7.87 54.44 14.25 5.59 5.72 2.78 0.02 10.97 6.22 8 G C C 36.19 5.24 14.83 21.21 124.68 5.70 97.43 -172.67 71.39 8.57 20.04 31.85 23.22 17.21 11.87 7.44 0.14 5.48 2.79 9 L C T 99.82 6.11 13.89 21.14 95.78 -38.08 -69.08 -29.23 63.80 4.53 31.67 12.77 16.00 35.43 16.75 13.96 0.34 2.66 2.09 10 T C T 68.73 7.63 12.85 21.63 97.69 55.55 -78.31 -23.15 61.07 5.84 33.10 10.87 13.21 36.38 16.65 16.11 0.49 3.63 2.66 11 G C T 35.63 7.68 13.02 21.88 99.14 59.13 -64.67 -32.55 56.22 7.37 36.41 20.29 13.86 23.31 13.27 21.80 0.17 4.72 2.58 12 K C T 135.91 3.72 14.78 19.44 98.06 52.56 -79.03 -20.71 61.60 9.09 29.32 17.45 15.36 29.93 10.75 17.23 0.28 6.12 2.88 13 Y C T 130.36 6.51 12.71 20.40 102.80 51.79 -96.85 4.69 65.38 11.64 22.97 22.99 16.51 27.44 9.33 12.12 0.32 7.27 4.02 14 G C C 40.02 6.40 13.06 20.67 116.77 -115.54 85.72 164.88 84.03 10.35 5.62 49.73 23.25 11.19 2.19 3.33 0.01 6.79 3.51 15 T C C 78.79 7.42 11.71 20.33 114.64 -69.96 -94.92 137.57 79.80 11.60 8.60 43.99 21.08 15.27 3.44 4.92 0.02 7.70 3.59 16 R C C 172.93 2.27 14.21 17.21 98.98 -144.73 -84.78 1.14 80.62 9.84 9.55 38.45 25.73 17.27 4.59 4.59 0.04 6.52 2.82 17 Y C C 108.58 8.70 10.47 20.14 110.75 76.46 -98.26 99.30 78.45 10.96 10.59 40.77 28.77 9.18 7.39 3.30 0.05 6.11 4.43 18 G C C 32.56 4.42 14.78 20.31 122.38 -105.20 81.43 169.13 87.64 4.13 8.23 74.26 9.02 3.52 7.87 1.33 0.00 2.33 1.66 19 R H H 162.15 2.85 12.73 17.04 92.47 -95.38 -61.29 -35.75 5.18 0.06 94.75 2.07 1.06 2.02 93.95 0.85 0.00 0.03 0.02 20 A H H 72.45 1.53 15.98 16.78 91.86 53.58 -64.02 -39.78 2.78 0.04 97.18 0.81 0.38 1.54 96.24 0.99 0.01 0.02 0.01 21 A H H 34.80 8.58 13.87 24.12 92.28 49.56 -65.96 -40.03 1.49 0.04 98.47 0.57 0.19 0.73 97.51 0.96 0.00 0.02 0.01 22 R H H 83.46 11.09 14.23 26.07 91.88 52.14 -63.53 -40.85 0.97 0.02 99.01 0.39 0.12 0.43 98.68 0.37 0.00 0.01 0.00 23 K H H 119.39 2.27 19.49 21.12 91.74 50.46 -64.70 -40.41 1.10 0.02 98.87 0.39 0.11 0.52 98.72 0.24 0.00 0.01 0.01 24 Q H H 88.91 4.20 19.20 23.71 91.94 49.95 -65.38 -40.83 1.32 0.04 98.64 0.42 0.13 0.67 98.47 0.26 0.00 0.02 0.01 25 L H H 36.27 13.90 15.62 30.18 92.29 50.70 -64.38 -41.87 1.19 0.03 98.77 0.37 0.13 0.60 98.59 0.29 0.00 0.02 0.01 26 L H H 70.88 7.74 18.34 27.05 91.93 51.51 -63.43 -40.35 1.88 0.07 98.06 0.55 0.18 1.00 97.80 0.40 0.00 0.04 0.01 27 K H H 121.85 2.49 20.20 22.25 91.84 50.72 -64.82 -40.45 4.13 0.15 95.72 0.92 0.38 2.66 95.21 0.68 0.01 0.10 0.04 28 I H H 60.83 8.90 17.11 27.12 92.60 50.12 -66.05 -40.81 6.12 0.33 93.55 2.02 0.87 3.20 92.60 1.00 0.02 0.21 0.08 29 E H H 66.69 11.21 16.20 28.03 92.24 51.36 -64.76 -39.84 9.25 0.70 90.05 4.48 1.31 3.89 87.39 2.25 0.03 0.47 0.18 30 T H H 71.15 4.77 17.74 23.26 92.62 50.66 -67.66 -36.59 14.47 1.05 84.48 5.82 2.17 7.03 80.55 3.39 0.05 0.70 0.29 31 S H H 53.20 6.10 16.18 23.50 94.64 51.41 -76.43 -23.79 22.93 0.81 76.27 8.29 3.14 12.08 71.56 4.12 0.05 0.46 0.30 32 Q H H 80.42 11.90 13.04 25.16 95.80 73.41 -69.03 -22.49 40.86 1.18 57.95 8.85 7.36 25.43 52.12 4.95 0.14 0.62 0.51 33 K C H 137.61 3.98 16.55 21.33 97.60 54.50 -89.88 1.46 55.85 2.33 41.82 14.81 9.52 32.07 36.20 5.09 0.11 1.23 0.96 34 A C C 46.37 8.69 13.53 23.85 117.56 112.98 -79.34 146.46 84.04 5.18 10.78 62.35 14.05 7.32 8.24 3.03 0.01 3.49 1.52 35 K C C 133.34 4.91 17.07 23.54 114.80 -122.91 -88.17 130.48 76.99 18.99 4.01 62.07 10.13 4.01 2.36 1.77 0.00 16.17 3.50 36 Y E E 53.98 15.58 13.18 29.02 129.35 -169.09 -126.79 148.10 45.00 53.15 1.84 34.09 8.96 2.11 1.07 1.08 0.01 46.42 6.26 37 T E B 75.44 5.43 20.64 26.79 119.87 -138.79 -107.88 133.29 20.43 79.30 0.27 17.52 1.37 0.13 0.24 0.08 0.00 36.08 44.57 38 C C C 10.88 20.01 10.10 30.52 109.46 -117.15 -72.28 126.38 94.09 5.88 0.04 94.06 0.78 0.09 0.01 0.01 0.00 4.10 0.93 39 P C T 87.12 4.15 18.15 23.34 92.45 -148.17 -68.80 -23.07 99.51 0.20 0.29 1.05 9.70 88.77 0.01 0.28 0.00 0.13 0.06 40 F C T 107.75 7.25 15.45 23.65 100.06 44.52 -83.87 -41.00 99.55 0.13 0.32 0.22 5.73 93.68 0.01 0.27 0.00 0.06 0.04 41 C C T 59.21 6.80 13.55 21.93 103.33 19.35 -107.89 -12.27 99.50 0.18 0.31 0.76 7.02 91.76 0.01 0.31 0.00 0.09 0.05 42 A C C 78.01 3.76 14.70 19.86 95.34 -124.16 70.74 13.14 98.37 1.40 0.23 71.64 18.99 7.71 0.05 0.21 0.00 0.72 0.69 43 K C C 88.25 6.88 13.52 22.22 119.21 141.89 -84.42 147.88 88.11 11.68 0.22 68.68 19.29 0.82 0.07 0.18 0.00 6.77 4.20 44 D E E 93.20 6.60 16.45 24.31 107.18 -118.19 -84.29 103.71 25.44 74.25 0.30 20.46 3.91 0.30 0.21 0.14 0.00 40.19 34.79 45 K C C 78.34 10.24 19.12 29.66 125.94 132.31 -126.51 150.15 56.89 43.02 0.08 48.42 6.66 0.35 0.01 0.08 0.00 43.74 0.74 46 V E E 21.28 21.02 14.51 35.06 124.79 -133.06 -116.74 137.43 22.18 77.76 0.06 20.69 1.19 0.12 0.02 0.04 0.00 76.27 1.65 47 R E E 110.60 6.65 23.68 30.94 123.88 -165.26 -118.60 138.16 6.70 93.28 0.02 6.36 0.30 0.03 0.01 0.01 0.00 92.56 0.73 48 R E E 80.95 16.55 13.91 30.06 109.89 -120.79 -78.25 123.08 9.56 90.41 0.04 9.11 0.38 0.05 0.01 0.02 0.00 89.54 0.89 49 T E E 73.14 5.77 19.49 26.29 100.90 176.53 -101.43 -23.95 39.41 60.46 0.13 28.85 9.20 0.69 0.02 0.10 0.00 60.71 0.44 50 A E E 39.66 6.08 20.87 27.78 140.96 -3.44 -157.75 164.54 42.82 56.63 0.54 8.54 27.00 9.51 0.06 0.53 0.00 52.56 1.80 51 C C T 62.37 10.81 19.65 30.53 109.38 -63.39 -62.74 131.27 98.56 1.01 0.43 2.09 23.10 73.43 0.02 0.47 0.00 0.73 0.16 52 G C T 12.75 16.05 19.12 35.19 96.73 13.52 87.27 -3.32 98.23 1.54 0.23 2.25 24.63 71.35 0.01 0.28 0.00 1.40 0.09 53 I E E 34.78 12.20 21.29 35.00 121.56 105.85 -111.56 130.42 9.29 90.70 0.00 8.09 0.69 0.02 0.00 0.00 0.00 90.92 0.27 54 W E E 18.86 20.32 18.13 38.80 127.70 -171.57 -122.76 143.06 0.43 99.57 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.02 55 T E E 41.06 9.32 23.98 34.20 122.80 -157.80 -117.87 133.89 0.28 99.72 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.66 0.05 56 C E E 8.33 19.41 12.50 33.19 109.68 -123.48 -77.94 123.19 16.38 83.61 0.01 16.15 0.33 0.02 0.00 0.00 0.00 82.96 0.52 57 R C T 135.53 4.79 18.58 24.63 94.24 -153.98 -69.33 -29.73 98.60 0.30 1.11 0.46 4.07 94.10 0.02 1.09 0.00 0.21 0.05 58 S C T 68.36 4.52 16.51 22.06 97.94 47.31 -77.82 -39.86 98.67 0.07 1.26 0.12 2.19 96.50 0.01 1.13 0.00 0.03 0.02 59 C C T 57.68 7.19 13.64 22.43 102.07 19.73 -107.98 -9.57 99.05 0.07 0.87 0.32 2.45 96.33 0.02 0.83 0.00 0.04 0.02 60 S C C 82.58 3.79 15.23 20.63 94.20 -126.18 68.33 19.71 98.69 1.07 0.24 63.87 6.41 28.46 0.05 0.19 0.00 0.84 0.19 61 K C C 94.10 6.43 15.04 23.32 119.20 141.53 -81.19 147.48 75.04 24.93 0.02 72.84 1.67 0.08 0.00 0.02 0.00 24.80 0.60 62 T E E 80.89 7.94 17.05 26.49 121.18 -133.49 -105.53 137.84 0.95 99.05 0.00 0.97 0.03 0.00 0.00 0.00 0.00 97.63 1.37 63 M E E 46.70 16.59 14.46 30.92 128.21 -174.34 -127.17 144.99 2.38 97.61 0.00 2.36 0.08 0.01 0.00 0.00 0.00 97.31 0.24 64 A E E 63.91 7.30 20.25 28.07 116.75 -132.09 -93.40 141.44 34.94 64.93 0.13 27.28 5.78 0.86 0.02 0.12 0.00 65.54 0.40 65 G C C 27.37 9.27 19.82 29.81 130.73 55.48 138.36 -175.72 67.67 31.61 0.72 40.71 21.89 5.73 0.10 0.76 0.00 29.29 1.51 66 G C C 24.86 11.75 20.10 31.64 127.17 -102.31 -97.60 169.52 77.35 20.60 2.05 52.06 17.58 8.34 0.37 2.06 0.00 16.14 3.44 67 A C S 37.84 17.35 16.50 32.78 96.10 -88.96 -74.70 -19.02 83.74 11.84 4.41 21.42 36.45 26.75 0.63 3.81 0.02 8.39 2.53 68 Y C S 122.86 9.10 20.10 29.00 101.25 49.24 -95.63 -11.34 79.67 15.40 4.93 19.65 35.60 25.59 0.91 3.87 0.05 9.75 4.58 69 S C C 49.75 8.25 20.83 29.52 118.65 53.81 -118.03 130.57 81.74 14.00 4.26 48.71 22.33 11.03 0.98 3.50 0.01 8.55 4.88 70 L C C 53.44 17.83 13.81 30.64 101.54 -154.01 -81.72 17.54 87.72 8.54 3.74 45.09 21.46 21.91 0.95 2.69 0.01 5.10 2.79 71 H C C 120.05 6.18 18.21 25.11 100.17 84.33 -94.69 21.70 93.03 3.79 3.19 49.06 24.81 19.39 0.79 2.39 0.00 1.95 1.60 72 T C S 45.61 9.74 13.25 24.48 123.27 117.59 -94.95 157.04 94.45 2.53 3.01 40.71 52.45 1.29 2.69 0.42 0.00 0.56 1.88 73 E H H 141.82 1.80 18.04 19.80 92.27 -112.09 -59.88 -37.99 6.85 0.04 93.11 1.37 1.96 3.40 92.56 0.68 0.01 0.01 0.02 74 P H H 62.74 7.04 18.02 25.93 91.86 52.14 -64.68 -39.80 4.65 0.03 95.31 1.00 0.57 2.89 94.63 0.86 0.01 0.02 0.01 75 A H H 9.92 18.33 13.85 32.75 91.98 49.98 -64.74 -41.58 1.54 0.01 98.44 0.52 0.17 0.75 97.85 0.69 0.00 0.01 0.00 76 N H H 73.40 6.61 20.36 27.60 91.66 51.47 -63.56 -41.05 0.63 0.01 99.37 0.22 0.06 0.27 99.21 0.23 0.00 0.00 0.00 77 A H H 57.77 2.91 22.47 24.60 91.61 49.86 -64.38 -41.63 0.51 0.00 99.48 0.13 0.04 0.26 99.45 0.12 0.00 0.00 0.00 78 A H H 25.50 12.89 18.49 32.06 91.93 49.94 -64.91 -41.77 0.43 0.00 99.56 0.10 0.03 0.22 99.57 0.08 0.00 0.00 0.00 79 R H H 87.17 12.82 19.06 31.52 91.74 51.23 -63.51 -41.29 0.35 0.00 99.65 0.08 0.02 0.17 99.67 0.05 0.00 0.00 0.00 80 A H H 53.36 3.03 21.38 24.00 91.42 50.67 -63.54 -41.98 0.40 0.00 99.60 0.09 0.02 0.20 99.65 0.04 0.00 0.00 0.00 81 T H H 57.54 5.30 20.04 25.72 91.76 50.08 -64.69 -41.75 0.28 0.00 99.72 0.05 0.01 0.14 99.77 0.03 0.00 0.00 0.00 82 I H H 39.41 13.06 16.54 30.37 91.88 50.02 -64.40 -42.05 0.15 0.00 99.85 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 83 R H H 118.75 4.66 19.25 24.48 91.55 50.73 -63.64 -41.44 0.13 0.00 99.87 0.02 0.00 0.07 99.89 0.02 0.00 0.00 0.00 84 R H H 136.55 1.97 19.52 20.60 91.70 50.06 -64.73 -41.38 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 85 L H H 63.65 6.81 16.85 24.76 91.98 49.58 -64.95 -41.47 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 86 R H H 103.15 6.46 16.25 23.62 91.86 50.38 -64.38 -41.32 0.31 0.00 99.69 0.04 0.01 0.18 99.73 0.04 0.00 0.00 0.00 87 L H H 88.01 2.08 16.58 18.38 91.66 50.13 -64.02 -41.45 0.54 0.00 99.46 0.07 0.03 0.34 99.49 0.08 0.00 0.00 0.00 88 A H H 55.52 2.41 14.62 17.50 91.95 50.15 -64.43 -40.71 1.09 0.00 98.91 0.17 0.07 0.66 98.94 0.15 0.00 0.00 0.00 89 R H H 124.99 3.40 12.92 17.38 92.36 49.67 -65.63 -39.43 2.54 0.01 97.45 0.49 0.22 1.54 97.40 0.34 0.00 0.00 0.00 90 E H H 118.76 2.15 11.74 14.78 92.53 50.78 -66.69 -38.05 6.60 0.02 93.38 1.08 0.58 4.39 93.25 0.69 0.01 0.01 0.01 91 D H H 115.49 0.94 10.86 11.73 93.16 52.05 -70.07 -26.99 19.06 0.06 80.89 2.65 1.61 13.81 80.88 0.98 0.01 0.02 0.03 92 A H H 82.20 1.71 8.92 11.74 96.21 57.33 -78.06 -15.51 47.82 0.18 52.00 17.56 1.54 26.51 53.10 1.11 0.00 0.06 0.12 93 Q C C 130.74 2.59 10.69 14.75 102.65 84.30 -79.63 34.24 99.80 0.04 0.16 99.23 0.22 0.36 0.15 0.01 0.00 0.02 0.01