# 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 D C C 100.87 3.94 20.83 24.90 104.20 -128.81 -80.08 62.11 99.78 0.21 0.00 99.71 0.11 0.02 0.00 0.00 0.00 0.15 0.01 1 I C C 34.17 20.97 10.67 30.35 118.47 -161.21 -100.43 130.10 55.87 44.03 0.10 54.90 0.55 0.14 0.02 0.05 0.00 43.55 0.78 2 Q E E 100.49 4.80 21.98 27.63 122.82 -168.26 -117.69 136.62 19.10 80.74 0.16 17.53 1.16 0.21 0.06 0.09 0.00 80.00 0.95 3 M E E 47.20 20.54 12.93 32.35 122.77 -160.63 -111.52 134.66 14.97 84.88 0.15 13.91 0.83 0.16 0.05 0.08 0.00 83.87 1.10 4 T E E 64.84 7.42 20.97 29.05 125.41 -172.14 -122.37 144.74 23.10 76.70 0.20 20.20 2.26 0.36 0.07 0.13 0.00 75.45 1.53 5 Q C E 76.38 13.87 15.79 29.48 126.53 -158.51 -123.01 140.87 51.77 47.99 0.24 38.91 12.24 1.01 0.05 0.22 0.00 46.24 1.34 6 S C C 54.72 10.17 17.07 27.81 120.14 -139.65 -102.58 146.69 84.45 15.40 0.15 57.61 25.22 1.19 0.02 0.15 0.00 15.07 0.73 7 P C C 55.01 9.81 16.35 26.96 116.45 14.44 -73.44 151.73 89.95 8.90 1.15 58.31 24.24 6.74 0.11 1.32 0.00 8.67 0.60 8 S C S 69.34 8.25 16.80 25.97 97.65 -147.33 -83.51 -20.72 79.82 19.42 0.75 27.19 45.85 5.85 0.06 0.80 0.00 19.52 0.73 9 S E E 57.70 6.57 20.01 27.81 134.92 17.89 -145.01 148.98 24.39 74.59 1.02 18.61 5.22 1.58 0.14 0.84 0.00 72.94 0.66 10 L E E 34.46 19.44 14.63 33.43 131.22 -175.54 -138.48 145.07 6.55 93.36 0.10 5.77 0.67 0.09 0.03 0.05 0.00 92.98 0.41 11 S E E 65.38 6.48 23.03 30.74 125.27 -157.89 -118.51 141.58 5.23 94.71 0.06 4.63 0.49 0.07 0.02 0.03 0.00 94.38 0.39 12 A E E 13.59 19.46 14.44 33.87 138.40 168.14 -146.46 159.74 21.97 77.86 0.17 18.83 2.37 0.29 0.04 0.12 0.00 77.75 0.60 13 S E E 54.84 4.96 23.62 28.45 124.22 -118.59 -93.00 157.52 42.78 56.76 0.46 35.76 5.62 1.12 0.16 0.38 0.00 52.33 4.64 14 V C T 60.30 15.27 14.12 29.29 109.04 -83.52 -60.87 134.78 94.48 4.17 1.35 2.04 8.95 84.17 0.12 1.12 0.00 3.03 0.58 15 G C T 45.38 4.65 19.85 25.19 96.22 22.85 88.88 -6.23 97.85 1.25 0.90 2.77 11.75 83.37 0.06 0.89 0.00 0.99 0.17 16 D C C 61.21 8.96 17.32 27.32 122.39 117.56 -81.99 154.31 92.83 6.45 0.72 46.77 43.89 2.65 0.11 0.65 0.00 5.11 0.82 17 R C C 128.15 8.00 19.59 28.62 118.44 -121.15 -89.90 136.53 70.80 29.17 0.04 69.01 1.17 0.09 0.00 0.03 0.00 29.24 0.45 18 V E E 11.97 22.45 14.55 37.02 127.08 -168.10 -124.52 141.96 1.99 98.01 0.00 1.96 0.04 0.00 0.00 0.00 0.00 97.86 0.13 19 T E E 60.97 8.24 25.21 33.94 119.16 -148.42 -108.84 129.68 0.54 99.46 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 20 I E E 4.99 25.60 16.76 43.13 120.67 -167.02 -115.56 129.96 1.67 98.33 0.00 1.54 0.05 0.00 0.00 0.00 0.00 98.40 0.01 21 T E E 42.89 9.70 27.00 37.40 122.43 -165.84 -114.29 135.54 6.22 93.78 0.00 5.65 0.17 0.00 0.00 0.00 0.00 94.14 0.04 22 C E E 4.18 25.72 17.02 43.21 126.28 -173.10 -125.88 138.98 7.04 92.96 0.01 6.45 0.27 0.01 0.00 0.00 0.00 93.15 0.11 23 R E E 103.95 7.41 27.36 35.57 119.89 -161.12 -117.18 131.35 5.62 94.35 0.03 5.26 0.29 0.03 0.01 0.02 0.00 93.47 0.93 24 A E E 9.86 23.65 13.91 37.18 121.79 -160.81 -100.31 142.86 42.82 56.75 0.43 40.42 1.78 0.33 0.16 0.26 0.00 55.01 2.05 25 S C C 51.34 7.49 20.30 28.23 113.54 -144.61 -89.09 162.11 83.63 15.05 1.32 49.46 29.52 4.55 0.22 1.25 0.00 13.86 1.15 26 Q C S 118.77 4.81 18.28 23.70 102.01 -41.12 -81.01 0.66 91.35 4.74 3.91 16.45 56.10 19.45 0.64 2.94 0.00 3.50 0.90 27 S C C 61.68 6.79 18.83 26.23 116.42 54.09 -101.27 137.85 91.84 3.87 4.29 49.12 24.86 17.68 0.65 4.09 0.00 2.55 1.05 28 V C C 45.91 17.12 16.08 32.30 105.49 -132.99 -86.24 26.31 83.65 6.72 9.63 41.68 22.31 19.98 1.51 8.32 0.00 3.99 2.21 29 S C C 34.82 14.35 19.40 33.41 115.37 114.16 -88.85 140.71 82.80 6.62 10.58 44.05 19.73 18.98 1.18 9.93 0.00 4.92 1.21 30 N C S 70.28 11.59 22.05 33.26 100.05 64.27 -93.74 -9.67 82.09 10.68 7.23 27.22 43.18 11.96 0.64 6.39 0.00 9.53 1.08 31 F E E 51.88 14.04 23.52 37.54 126.69 43.65 -122.66 142.72 37.92 58.10 3.98 28.38 6.74 3.22 0.59 3.33 0.00 56.72 1.02 32 L E E 3.84 26.03 19.01 45.48 125.16 -165.88 -117.17 137.48 8.61 91.36 0.03 7.88 0.57 0.05 0.01 0.02 0.00 91.28 0.20 33 H E E 41.07 14.68 27.83 42.52 126.34 -168.94 -120.32 141.52 0.96 99.03 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.07 0.02 34 W E E 10.10 24.18 21.18 45.39 123.27 -154.73 -110.56 138.27 0.64 99.36 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 35 Y E E 28.11 15.70 23.31 39.35 131.49 -174.05 -129.22 150.05 0.62 99.38 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.40 0.02 36 Q E E 43.80 14.19 20.67 35.27 122.38 -148.26 -113.12 135.71 2.06 97.94 0.00 1.70 0.14 0.01 0.00 0.00 0.00 98.09 0.05 37 Q E E 56.29 13.19 15.17 29.10 119.11 -147.21 -103.28 133.64 22.69 77.29 0.02 20.68 1.24 0.06 0.00 0.01 0.00 76.98 1.02 38 K C C 99.20 5.97 14.73 22.14 118.65 -136.02 -89.78 144.72 97.79 2.18 0.03 96.13 1.75 0.19 0.01 0.02 0.00 1.56 0.33 39 P C T 106.85 3.27 11.05 16.36 109.36 -85.23 -59.03 133.58 99.56 0.12 0.32 0.40 3.38 95.80 0.01 0.31 0.00 0.07 0.02 40 G C T 69.43 0.26 12.56 10.14 96.01 17.26 83.07 -2.79 99.56 0.08 0.36 0.49 3.37 95.68 0.01 0.38 0.00 0.06 0.01 41 K C S 111.59 4.06 10.29 16.54 128.22 92.49 -115.44 159.88 94.02 5.57 0.41 33.69 59.01 1.51 0.08 0.35 0.00 1.99 3.36 42 A C C 75.11 2.59 16.04 19.10 115.62 -95.67 -70.81 148.62 97.17 2.80 0.03 87.94 9.30 0.17 0.01 0.03 0.00 2.15 0.40 43 P C C 45.92 17.33 10.89 27.47 115.08 -102.96 -65.30 145.58 86.65 13.30 0.05 84.97 1.74 0.16 0.00 0.04 0.00 12.57 0.53 44 K E E 101.00 7.03 20.93 28.79 123.12 -154.32 -117.35 138.27 12.17 87.72 0.10 10.37 1.74 0.17 0.03 0.06 0.00 86.85 0.77 45 L E E 60.99 15.83 17.48 32.94 111.03 -117.63 -76.37 126.60 1.46 98.53 0.02 1.31 0.07 0.01 0.00 0.00 0.00 98.55 0.06 46 L E E 25.98 17.34 20.64 37.97 101.39 176.26 -95.32 -34.67 2.74 97.23 0.03 1.81 0.73 0.03 0.01 0.01 0.00 97.39 0.02 47 I E E 16.65 20.01 21.12 40.88 135.57 4.92 -147.06 141.66 0.54 99.45 0.01 0.43 0.04 0.00 0.00 0.00 0.00 99.51 0.01 48 Y E E 58.97 17.04 21.70 37.87 126.80 -171.30 -129.61 135.54 3.04 96.90 0.06 2.60 0.21 0.04 0.03 0.02 0.00 96.99 0.11 49 Y E E 48.93 15.82 20.47 36.10 120.06 -168.55 -114.48 134.06 27.88 69.68 2.44 20.97 5.36 2.05 1.16 1.23 0.00 68.44 0.79 50 A C C 37.77 13.70 17.99 31.61 108.95 -154.71 -89.86 77.63 57.25 23.23 19.51 28.28 15.04 16.18 4.83 13.22 0.07 20.59 1.78 51 S C T 62.08 7.72 18.14 26.23 105.74 57.38 -93.41 12.30 68.43 7.22 24.35 20.89 20.43 29.10 6.34 16.34 0.10 5.02 1.78 52 Q C C 101.91 7.26 17.40 25.35 110.12 35.94 -101.52 85.86 64.89 9.86 25.25 26.06 18.26 22.83 7.61 15.97 0.16 6.38 2.72 53 S C C 44.49 13.83 12.82 26.51 114.29 110.06 -91.96 133.26 68.92 16.58 14.49 45.32 13.81 10.16 6.81 7.66 0.06 12.00 4.19 54 I C C 92.69 8.59 14.47 23.99 111.28 -162.22 -97.26 114.46 66.21 21.29 12.50 39.31 14.13 13.21 6.06 6.37 0.17 13.56 7.19 55 S C T 77.65 4.70 15.17 21.26 110.81 -75.83 -85.87 123.00 82.34 10.15 7.50 18.72 16.24 47.80 2.70 4.38 0.06 7.16 2.94 56 G C T 52.14 4.13 16.73 21.96 101.52 -2.16 84.83 -0.67 91.78 5.22 3.00 19.55 25.34 47.31 0.52 2.37 0.00 3.91 1.00 57 V C C 43.50 15.23 12.04 27.56 117.74 111.37 -98.93 131.23 81.31 18.12 0.56 51.17 29.96 1.49 0.22 0.38 0.00 10.25 6.52 58 P C C 64.03 8.19 18.75 27.81 111.92 -110.90 -67.84 145.89 84.77 13.37 1.85 66.24 12.40 5.53 0.52 1.49 0.00 11.37 2.45 59 S C C 46.59 15.72 15.23 30.13 105.69 -135.16 -88.01 28.11 79.34 17.57 3.09 56.95 14.99 7.37 0.64 2.64 0.00 15.67 1.73 60 R C C 116.27 8.13 21.74 30.38 121.42 68.08 -117.32 133.90 58.06 39.33 2.61 40.78 14.00 3.91 0.72 1.80 0.00 36.66 2.13 61 F E E 38.41 22.13 13.83 34.93 123.52 -167.91 -113.49 139.70 26.24 72.95 0.81 22.28 3.56 0.96 0.36 0.47 0.00 70.35 2.01 62 S E E 57.63 6.53 23.17 30.83 133.72 -176.65 -136.76 155.94 14.54 85.07 0.39 12.47 1.73 0.48 0.16 0.19 0.00 83.74 1.23 63 G E E 26.33 16.15 15.67 30.91 138.81 165.92 -154.10 170.38 18.80 80.84 0.36 14.92 3.64 0.90 0.09 0.24 0.00 79.07 1.13 64 S E E 68.49 5.17 20.31 26.93 129.02 -153.38 -132.15 152.64 32.39 67.18 0.43 26.23 5.22 1.40 0.11 0.36 0.00 65.30 1.39 65 G C E 33.69 11.65 14.90 26.76 131.74 138.62 -146.21 172.34 58.42 40.97 0.61 33.21 20.68 5.68 0.07 0.66 0.00 38.43 1.27 66 S C S 75.64 3.75 20.57 24.74 107.68 -97.04 -110.50 34.88 69.73 28.54 1.73 17.51 33.98 19.93 0.17 1.75 0.01 23.88 2.76 67 G C S 31.14 11.43 18.17 29.23 104.81 -62.04 72.81 -70.25 96.21 2.28 1.51 5.04 47.57 43.75 0.06 1.57 0.00 1.65 0.35 68 T C S 57.96 13.66 17.51 30.89 100.00 -9.33 -100.54 -2.13 93.16 5.69 1.14 7.33 47.54 38.43 0.05 1.21 0.00 4.89 0.54 69 D E E 58.83 9.05 22.20 32.31 118.89 86.22 -101.30 131.49 39.00 60.62 0.38 27.02 11.11 1.91 0.08 0.40 0.00 55.26 4.22 70 F E E 9.29 24.13 16.28 40.63 128.97 -175.71 -129.08 144.18 21.20 78.78 0.02 19.87 0.83 0.06 0.00 0.01 0.00 78.42 0.81 71 T E E 36.05 10.64 26.90 38.49 124.25 -160.93 -120.69 135.05 10.54 89.46 0.00 9.16 0.78 0.01 0.00 0.00 0.00 89.84 0.21 72 L E E 3.46 25.81 18.99 45.58 120.01 -161.32 -114.21 128.49 1.02 98.98 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.93 0.02 73 T E E 41.40 10.07 27.09 37.93 119.68 -164.24 -114.81 128.52 0.30 99.70 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.65 0.02 74 I E E 7.34 24.06 16.39 41.03 117.52 -167.16 -113.99 125.00 3.17 96.83 0.00 3.30 0.03 0.00 0.00 0.00 0.00 96.05 0.61 75 S C C 47.67 7.21 22.99 30.42 122.21 -165.49 -111.09 157.91 92.00 7.92 0.08 51.25 35.33 4.25 0.00 0.13 0.00 8.71 0.31 76 S C S 67.32 4.49 24.08 28.68 97.81 11.38 59.86 57.05 98.98 1.00 0.03 8.98 85.66 4.34 0.00 0.04 0.00 0.89 0.08 77 L C C 16.43 24.01 10.42 33.99 113.86 -145.50 -75.88 133.75 99.10 0.89 0.01 97.31 1.92 0.03 0.00 0.00 0.00 0.32 0.41 78 Q C C 81.46 4.63 24.14 28.60 129.88 -173.79 -124.59 155.56 99.84 0.15 0.01 99.51 0.37 0.00 0.00 0.00 0.00 0.03 0.09 79 P H G 69.67 12.93 14.94 28.05 91.20 -107.11 -58.27 -31.89 3.22 0.02 96.76 0.17 0.19 1.98 0.21 97.43 0.00 0.01 0.00 80 E H G 128.67 3.24 21.20 24.99 89.90 62.77 -70.62 -16.41 2.59 0.03 97.38 0.09 0.14 1.71 0.14 97.89 0.00 0.02 0.00 81 D H G 17.87 19.79 16.09 36.18 93.84 61.79 -87.12 -2.94 3.38 0.04 96.58 0.41 0.32 1.47 0.20 97.56 0.00 0.04 0.00 82 F C C 50.03 17.65 19.16 36.61 116.76 104.15 -79.43 136.43 89.16 10.54 0.31 85.53 3.73 0.12 0.03 0.30 0.00 9.90 0.38 83 A E E 16.30 15.66 22.88 38.44 143.27 149.64 -157.86 173.72 6.86 93.13 0.01 6.38 0.39 0.03 0.00 0.01 0.00 92.77 0.42 84 T E E 38.87 13.25 25.16 38.60 120.02 -87.84 -104.39 136.46 1.05 98.95 0.00 0.93 0.06 0.00 0.00 0.00 0.00 98.99 0.03 85 Y E E 8.79 24.78 19.52 44.30 126.50 -166.88 -119.25 140.91 0.71 99.29 0.00 0.60 0.04 0.00 0.00 0.00 0.00 99.33 0.02 86 Y E E 39.03 15.31 27.07 42.36 129.41 -168.82 -125.40 144.46 2.66 97.32 0.02 2.25 0.18 0.02 0.00 0.01 0.00 97.45 0.08 87 C E E 4.43 24.78 20.64 45.54 121.79 -156.96 -114.32 133.72 12.47 87.32 0.21 10.66 1.28 0.23 0.07 0.10 0.00 87.35 0.32 88 Q E E 45.02 13.53 25.44 38.89 125.59 -170.17 -121.05 139.31 14.85 84.78 0.37 13.19 1.35 0.33 0.12 0.18 0.00 84.07 0.76 89 Q E E 44.26 17.94 18.04 35.27 118.59 -148.77 -104.15 135.74 26.52 72.81 0.68 22.23 3.86 1.08 0.22 0.43 0.00 70.92 1.26 90 S E E 45.82 9.94 18.21 28.85 122.80 -172.58 -116.39 143.10 49.67 49.69 0.64 36.94 10.86 2.65 0.15 0.55 0.00 46.86 1.99 91 N C C 78.07 9.57 13.07 23.54 121.67 -149.12 -115.36 145.24 76.69 22.60 0.71 43.77 26.77 6.81 0.11 0.70 0.00 19.82 2.02 92 T C S 99.02 3.11 14.79 18.69 102.30 -110.80 -89.16 -7.30 93.64 5.87 0.49 21.24 62.37 10.01 0.06 0.47 0.00 5.09 0.77 93 W C S 150.40 4.42 13.81 19.78 121.41 36.46 -113.90 136.47 93.67 5.95 0.38 18.12 70.13 5.48 0.05 0.33 0.00 4.97 0.92 94 P C C 77.91 6.66 15.70 23.51 113.71 -75.67 -69.42 146.70 90.00 9.49 0.51 60.70 23.41 5.45 0.07 0.53 0.00 9.10 0.75 95 L C C 56.72 15.42 13.82 29.15 116.48 -126.44 -89.35 134.27 62.10 37.36 0.54 53.56 5.66 1.57 0.11 0.44 0.00 36.91 1.74 96 T E E 60.38 10.02 20.15 30.63 123.18 -162.67 -116.20 137.46 28.87 70.74 0.39 24.99 2.50 0.58 0.17 0.25 0.00 65.35 6.16 97 F E E 56.84 17.95 15.72 32.97 117.70 -156.63 -102.13 131.69 33.58 65.77 0.65 26.23 6.04 1.87 0.27 0.50 0.01 59.78 5.31 98 G C C 25.72 11.45 18.58 30.10 122.20 -145.01 -82.69 -161.65 69.26 30.22 0.52 42.66 21.21 5.40 0.07 0.50 0.00 28.81 1.35 99 Q C C 117.92 5.43 21.34 27.12 100.28 -50.89 -81.32 4.24 77.12 22.29 0.59 46.20 24.83 5.75 0.07 0.63 0.00 21.56 0.96 100 G C C 16.78 16.90 16.67 32.67 127.69 -128.35 96.80 176.02 71.11 28.65 0.25 56.28 10.91 1.80 0.03 0.26 0.00 30.07 0.64 101 T E E 29.95 16.39 18.86 35.30 127.55 -103.22 -120.24 145.19 17.52 82.44 0.04 15.94 0.94 0.06 0.01 0.02 0.00 82.68 0.35 102 K E E 101.52 9.46 22.78 32.64 120.71 -143.96 -106.83 134.28 1.86 98.13 0.01 1.62 0.12 0.01 0.00 0.00 0.00 98.18 0.06 103 L E E 14.68 22.52 14.89 37.22 120.48 -162.62 -113.57 130.58 1.04 98.95 0.00 1.01 0.02 0.00 0.00 0.00 0.00 98.93 0.03 104 E E E 93.21 5.81 23.37 29.61 117.76 -158.02 -107.36 128.05 2.35 97.64 0.01 2.33 0.07 0.01 0.00 0.00 0.00 97.45 0.13 105 I E E 27.61 20.48 11.18 31.00 116.22 -156.43 -100.50 126.43 21.40 78.55 0.04 21.57 0.24 0.04 0.02 0.02 0.00 77.35 0.76 106 K C C 128.65 4.01 19.94 24.70 114.41 -159.43 -99.53 128.86 99.37 0.62 0.00 99.41 0.06 0.01 0.00 0.00 0.00 0.50 0.01