# 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 G C C 35.45 7.95 17.43 25.89 122.56 -147.44 127.07 173.84 99.63 0.36 0.01 99.48 0.19 0.06 0.00 0.00 0.00 0.24 0.03 1 V C C 69.75 11.92 12.35 24.66 119.93 -106.09 -103.85 137.02 74.73 24.86 0.42 72.12 1.40 0.64 0.13 0.22 0.00 21.92 3.58 2 R C E 128.12 5.90 16.06 23.36 121.41 -158.31 -106.46 140.11 51.88 47.47 0.65 42.03 7.50 1.44 0.22 0.55 0.00 42.98 5.29 3 T E E 65.74 9.48 12.46 23.15 122.72 -145.35 -108.51 141.67 29.53 69.98 0.49 23.39 3.20 0.34 0.39 0.19 0.00 38.11 34.38 4 S C C 30.68 9.89 10.51 21.99 122.78 -127.24 -84.17 167.30 92.29 7.41 0.29 87.77 3.64 0.89 0.08 0.20 0.00 5.61 1.81 5 P C T 115.69 2.21 12.39 15.99 90.81 -95.49 -63.89 -22.60 98.27 0.72 1.01 2.86 10.22 85.05 0.06 1.09 0.00 0.59 0.13 6 T C T 98.30 2.05 11.89 14.77 94.75 53.78 -88.75 -2.33 98.53 0.34 1.13 1.72 9.88 86.81 0.06 1.20 0.00 0.23 0.08 7 G C S 46.68 4.03 12.26 17.89 98.98 -103.53 86.84 5.35 95.99 2.92 1.09 23.38 68.61 4.17 0.11 1.02 0.00 1.68 1.03 8 E C C 92.33 5.74 12.44 20.19 117.51 139.33 -81.22 143.92 94.16 5.62 0.22 83.60 9.63 0.90 0.06 0.16 0.00 4.61 1.04 9 K E B 122.93 5.89 16.16 23.60 115.88 -119.45 -82.96 136.25 24.51 75.09 0.39 20.69 1.90 0.23 0.30 0.14 0.00 34.97 41.76 10 V C C 46.30 14.85 12.95 28.01 117.66 -144.29 -100.10 131.67 52.69 47.01 0.30 49.48 1.97 0.28 0.15 0.17 0.00 41.61 6.34 11 T C C 63.71 9.13 17.34 27.09 114.99 -170.21 -104.73 133.85 77.53 21.75 0.72 63.90 11.08 1.83 0.21 0.59 0.00 18.54 3.85 12 H C C 77.54 11.71 15.24 27.32 120.89 -134.35 -115.38 141.36 71.45 25.96 2.60 34.97 27.53 9.34 0.91 1.89 0.04 14.38 10.94 13 T C T 76.33 8.75 16.07 25.37 108.13 -95.70 -78.45 114.55 89.23 8.16 2.61 12.86 22.91 53.77 0.41 2.31 0.01 5.54 2.19 14 G C T 44.78 6.03 16.81 23.79 97.59 -24.38 84.82 1.65 92.79 5.68 1.53 19.36 26.69 46.97 0.15 1.59 0.00 4.34 0.90 15 Q C C 65.07 11.90 12.90 25.66 119.80 129.82 -94.76 142.42 79.36 20.05 0.59 64.68 12.67 1.45 0.18 0.52 0.00 13.86 6.64 16 V C C 91.71 5.07 17.81 24.24 120.86 -149.46 -111.00 135.99 70.57 29.14 0.29 67.00 3.10 0.37 0.12 0.17 0.00 18.31 10.93 17 Y C C 78.22 15.41 9.87 24.83 117.39 -126.15 -84.55 140.44 84.80 15.01 0.19 81.03 3.67 0.32 0.07 0.12 0.00 10.16 4.65 18 D C C 69.48 5.21 14.85 21.41 113.54 -143.65 -98.97 121.34 95.81 4.08 0.11 93.56 2.19 0.21 0.04 0.05 0.00 1.64 2.31 19 D C T 112.48 3.65 11.70 17.60 92.22 -143.32 -64.72 -22.16 98.77 0.22 1.01 1.36 5.49 92.06 0.17 0.69 0.00 0.13 0.10 20 E C T 150.79 1.18 14.08 14.89 94.62 56.18 -88.10 -2.73 99.03 0.14 0.83 1.66 5.47 92.01 0.13 0.59 0.00 0.08 0.05 21 D C C 43.44 10.02 9.48 21.23 108.18 103.22 -86.84 110.36 92.22 6.88 0.90 79.51 11.49 0.69 0.32 0.55 0.00 2.59 4.85 22 Y H G 114.50 8.75 12.94 23.28 93.58 -172.34 -72.46 -18.78 38.22 2.00 59.78 10.58 5.10 21.20 3.36 57.96 0.00 1.25 0.54 23 R H G 122.26 7.21 14.48 22.95 92.21 67.05 -73.32 -17.39 32.90 4.39 62.71 6.77 5.45 20.95 4.17 58.46 0.02 3.35 0.82 24 R H G 120.11 7.37 15.65 23.87 95.60 66.11 -80.49 0.63 30.77 5.94 63.29 13.00 7.84 11.52 5.30 56.76 0.01 4.57 1.00 25 V C C 49.26 12.02 11.74 24.72 113.22 113.58 -82.37 130.05 68.86 13.71 17.43 45.38 17.83 5.21 8.12 9.42 0.06 7.09 6.90 26 R C C 131.39 6.21 15.86 22.95 100.69 -147.24 -78.92 -4.22 73.66 14.54 11.80 37.76 22.59 13.45 5.05 6.54 0.11 8.42 6.07 27 F C C 88.31 9.67 11.44 22.05 108.72 52.02 -103.86 82.39 64.41 26.94 8.65 30.55 20.26 13.52 3.55 4.86 0.36 11.38 15.52 28 V C T 95.93 5.46 10.76 17.95 109.85 -124.99 -72.62 126.46 89.16 6.89 3.96 6.94 9.68 72.38 1.11 2.60 0.02 4.42 2.85 29 G C T 66.51 0.65 13.54 12.92 95.88 10.84 80.36 -0.20 97.22 1.10 1.68 5.99 14.18 77.06 0.24 1.43 0.00 0.81 0.29 30 R C C 125.01 4.92 10.09 17.14 125.32 106.48 -111.97 152.94 89.79 8.73 1.48 53.02 34.28 2.84 0.46 1.03 0.00 4.02 4.35 31 Q C C 138.74 1.84 14.81 17.04 112.81 -101.00 -74.62 139.99 84.82 13.57 1.61 78.03 4.49 1.70 0.61 0.94 0.00 8.02 6.21 32 K C C 96.56 12.86 9.11 21.76 113.71 -111.82 -77.86 135.81 87.36 10.51 2.13 76.00 8.31 2.74 0.64 1.54 0.00 7.29 3.47 33 E C C 113.58 4.56 16.05 21.87 120.16 -158.85 -108.12 138.70 76.66 21.51 1.83 64.44 8.56 2.26 0.84 1.12 0.00 13.46 9.32 34 V C C 81.30 10.08 11.93 22.90 116.98 -138.92 -93.18 134.32 76.43 21.95 1.62 62.29 10.64 1.80 0.89 0.87 0.00 11.95 11.55 35 N C C 56.30 10.70 11.05 22.92 111.62 -129.71 -88.95 122.47 94.50 4.59 0.91 87.44 5.98 1.18 0.45 0.38 0.00 2.63 1.95 36 E C T 144.54 2.87 15.02 19.04 93.88 -153.87 -71.46 -19.28 89.78 0.75 9.48 9.53 16.39 64.11 5.66 3.51 0.00 0.44 0.34 37 N C T 94.86 5.28 14.33 20.73 98.21 57.35 -94.28 10.95 89.09 0.95 9.96 11.99 13.94 63.37 6.19 3.50 0.01 0.49 0.51 38 F C C 60.11 10.66 13.80 25.85 112.50 117.13 -78.08 142.41 68.54 4.00 27.46 57.56 6.42 4.20 24.91 2.81 0.00 1.32 2.78 39 A H H 34.45 13.49 15.63 29.42 94.63 -119.35 -62.52 -36.41 12.86 0.35 86.79 8.47 1.74 3.50 80.84 5.12 0.01 0.19 0.12 40 I H H 68.70 9.90 17.04 27.65 92.46 53.97 -65.51 -39.85 4.20 0.16 95.65 1.68 0.65 2.11 88.66 6.74 0.01 0.11 0.03 41 D H H 78.32 3.60 19.29 23.10 91.99 51.50 -65.71 -38.15 2.83 0.13 97.04 1.13 0.39 1.41 89.05 7.87 0.01 0.11 0.02 42 L H H 43.41 10.48 16.13 27.94 92.14 51.53 -65.27 -40.65 3.39 0.13 96.48 1.26 0.48 1.80 90.03 6.30 0.01 0.10 0.03 43 I H H 39.67 15.28 14.24 29.79 92.16 52.43 -64.60 -38.98 3.87 0.07 96.06 0.79 0.42 2.60 84.09 12.02 0.01 0.05 0.02 44 A H H 64.14 6.28 16.24 23.68 91.16 58.07 -68.11 -23.76 21.04 0.06 78.90 1.07 1.01 18.35 67.96 11.51 0.02 0.03 0.04 45 E H H 130.50 2.79 17.14 20.29 94.16 56.26 -85.12 -9.76 47.40 0.11 52.49 2.10 2.98 40.81 43.15 10.82 0.02 0.05 0.08 46 Q C S 60.15 14.50 10.39 24.79 117.98 92.61 -87.11 139.62 99.35 0.46 0.20 22.16 77.01 0.32 0.14 0.03 0.00 0.13 0.21 47 P C C 88.90 2.95 20.03 22.82 115.19 -104.15 -65.78 148.64 98.60 1.35 0.05 97.28 1.47 0.13 0.01 0.02 0.00 0.87 0.21 48 V C C 61.56 18.24 10.89 27.77 115.44 -109.27 -78.66 135.98 81.61 18.34 0.05 76.59 4.39 0.19 0.01 0.05 0.00 18.05 0.72 49 S E E 53.44 7.15 19.21 27.50 125.16 -169.46 -121.51 141.77 5.33 94.66 0.02 4.81 0.44 0.03 0.01 0.01 0.00 93.45 1.25 50 Q E E 116.87 5.74 17.90 25.34 113.28 -115.69 -76.80 133.03 4.95 95.03 0.03 4.69 0.22 0.03 0.01 0.01 0.00 93.83 1.21 51 V C C 29.71 18.32 10.05 27.58 116.34 -169.91 -112.11 134.07 50.06 49.80 0.14 49.08 0.95 0.18 0.03 0.09 0.00 48.57 1.10 52 G C S 59.04 1.62 19.49 20.53 97.03 -154.69 -88.75 -11.64 85.52 14.04 0.45 36.58 41.13 7.04 0.03 0.53 0.00 14.06 0.62 53 S C S 53.27 6.30 18.47 25.84 132.65 54.15 -128.63 159.44 91.10 8.37 0.53 12.38 68.36 9.58 0.03 0.53 0.00 8.65 0.48 54 R C S 107.25 13.82 16.27 29.78 97.00 -134.48 -84.32 -11.81 85.00 14.74 0.25 24.61 56.82 2.37 0.02 0.25 0.00 15.52 0.42 55 V E E 59.65 9.68 21.61 32.26 125.26 59.71 -122.50 135.17 15.78 84.19 0.04 13.74 1.72 0.10 0.01 0.03 0.00 83.98 0.42 56 I E E 14.93 22.49 17.15 39.53 127.56 -173.29 -126.59 139.18 1.76 98.24 0.00 1.60 0.06 0.00 0.00 0.00 0.00 98.22 0.10 57 S E E 40.76 11.45 25.66 37.35 126.76 -158.70 -116.44 145.00 2.23 97.77 0.01 2.08 0.08 0.01 0.00 0.00 0.00 97.76 0.07 58 C E E 11.70 22.81 16.72 38.95 131.10 -168.04 -132.40 148.83 20.45 79.50 0.05 18.61 1.31 0.11 0.01 0.04 0.00 79.14 0.79 59 D C C 65.32 8.67 23.02 32.11 103.18 -131.12 -88.52 62.41 67.24 32.55 0.21 60.47 4.76 0.71 0.05 0.18 0.00 32.00 1.82 60 G C C 24.90 14.81 15.90 30.29 98.65 -152.18 -41.11 -1.48 93.09 5.76 1.15 64.39 19.44 8.97 0.22 1.19 0.00 3.99 1.80 61 G C S 39.72 7.87 16.49 25.18 110.16 -117.01 83.93 77.16 92.55 4.45 2.99 32.89 38.64 20.69 0.37 3.00 0.00 2.09 2.32 62 G C S 51.39 3.91 14.74 20.14 115.57 -64.38 102.68 162.78 89.37 4.87 5.76 30.94 40.92 16.50 0.80 5.36 0.00 1.59 3.89 63 G C G 49.14 2.60 14.94 18.48 120.77 10.14 80.22 -157.22 55.92 0.96 43.12 6.07 16.43 29.99 1.23 45.21 0.00 0.41 0.65 64 A C G 90.16 2.55 14.58 18.13 93.77 -31.23 -70.76 -20.09 55.21 0.28 44.50 1.70 6.27 42.92 0.91 47.89 0.00 0.14 0.17 65 L C T 83.40 9.25 14.24 24.30 96.20 53.47 -89.44 -4.15 58.20 0.79 41.00 3.14 8.10 43.97 1.43 42.50 0.00 0.41 0.45 66 G C C 27.54 9.74 17.11 27.67 110.55 -126.90 77.53 18.35 85.23 8.16 6.61 49.51 21.85 12.64 1.24 5.70 0.00 2.79 6.25 67 H C C 56.56 15.84 16.68 32.18 119.84 -39.14 -95.57 139.12 91.40 8.45 0.15 70.03 21.51 0.52 0.04 0.12 0.00 4.86 2.92 68 P C C 31.59 14.48 20.01 34.96 115.78 -106.68 -67.36 149.99 91.45 8.50 0.05 79.47 11.49 0.39 0.01 0.05 0.00 7.78 0.82 69 R E E 97.56 14.31 20.77 34.24 119.04 -131.77 -100.89 133.73 13.28 86.71 0.01 11.58 1.80 0.06 0.00 0.01 0.00 85.70 0.85 70 V E E 17.96 19.55 19.21 38.71 127.13 -172.26 -126.10 138.96 0.56 99.44 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.44 0.03 71 Y E E 68.11 12.99 24.28 37.41 117.84 -148.50 -103.23 129.89 0.66 99.34 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.02 72 I E E 8.14 23.48 18.22 42.00 120.55 -165.81 -114.58 128.54 3.52 96.47 0.01 3.17 0.15 0.01 0.00 0.00 0.00 96.54 0.13 73 N E E 44.80 9.15 24.35 34.64 108.28 -138.36 -91.77 112.99 16.85 83.05 0.10 15.79 0.67 0.09 0.03 0.05 0.00 82.69 0.68 74 L C C 17.19 22.09 14.39 36.64 96.07 -171.56 -82.01 -8.79 79.64 13.39 6.98 35.80 18.22 26.71 1.02 5.60 0.01 11.30 1.36 75 D C T 89.97 5.96 18.72 25.39 94.39 70.12 -79.70 -12.78 85.07 7.38 7.54 22.69 30.51 32.70 1.28 5.97 0.01 5.10 1.73 76 K C S 106.01 5.53 15.33 22.20 119.58 76.83 -100.39 146.38 85.02 5.53 9.45 27.00 36.80 22.01 1.68 7.21 0.02 3.35 1.92 77 E C C 133.20 4.81 14.55 21.12 108.15 -115.22 -74.84 117.99 92.06 4.06 3.89 42.41 24.39 25.51 0.86 3.05 0.00 2.52 1.25 78 T C C 54.47 8.92 13.66 23.86 131.34 143.97 -128.54 161.59 90.53 7.11 2.36 45.71 27.95 17.29 0.47 2.02 0.00 4.43 2.13 79 K C S 132.42 6.35 17.47 24.66 95.63 -123.65 -77.24 -14.77 92.07 7.41 0.53 26.40 58.43 7.10 0.07 0.51 0.00 6.73 0.76 80 T C E 63.74 9.41 18.72 28.68 127.41 39.29 -123.90 142.71 53.96 45.82 0.22 36.62 14.32 2.67 0.03 0.24 0.00 45.27 0.85 81 G E E 12.69 14.72 19.17 34.26 138.55 156.78 -152.46 171.97 12.05 87.89 0.06 9.94 1.77 0.22 0.01 0.05 0.00 87.45 0.58 82 T E E 60.14 9.69 24.50 34.55 125.75 -110.28 -118.82 141.95 2.95 97.03 0.01 2.74 0.14 0.01 0.01 0.00 0.00 91.34 5.76 83 C C C 4.74 24.63 13.73 39.21 109.79 -115.94 -76.84 126.35 78.91 21.06 0.03 79.45 0.43 0.07 0.00 0.01 0.00 19.02 1.01 84 G C T 33.90 8.85 22.45 32.15 94.15 -148.61 -69.87 -27.39 99.40 0.15 0.45 0.46 5.66 93.25 0.01 0.49 0.00 0.09 0.03 85 Y C T 95.00 11.77 20.54 32.03 100.64 43.13 -85.08 -38.24 99.58 0.05 0.37 0.09 3.32 96.23 0.00 0.31 0.00 0.02 0.02 86 C C T 35.03 13.77 18.75 32.97 102.13 17.55 -108.35 -9.50 99.60 0.11 0.28 0.31 3.54 95.80 0.01 0.27 0.00 0.05 0.02 87 G C C 26.33 9.72 21.44 32.19 95.14 -120.59 80.13 8.60 98.65 1.25 0.11 89.03 4.10 5.57 0.02 0.09 0.00 0.84 0.35 88 L C C 23.90 18.04 17.62 36.42 116.88 149.80 -76.48 141.19 92.34 7.66 0.00 92.54 0.66 0.02 0.00 0.00 0.00 6.28 0.48 89 Q E E 59.11 11.79 24.33 36.29 118.93 -142.76 -101.41 133.02 0.83 99.17 0.00 0.81 0.02 0.00 0.00 0.00 0.00 98.30 0.86 90 F E E 12.48 23.39 16.79 40.14 128.52 -171.83 -123.71 146.06 0.74 99.26 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.02 91 R E E 91.55 9.06 23.58 32.99 124.37 -154.40 -117.16 139.55 5.74 94.24 0.01 5.43 0.20 0.02 0.00 0.01 0.00 94.05 0.30 92 Q E E 57.79 16.10 13.56 29.46 114.38 -122.59 -82.27 134.30 33.57 66.21 0.22 29.23 2.99 0.64 0.05 0.18 0.00 65.84 1.07 93 Q C C 100.01 6.40 14.62 22.40 116.78 -161.27 -105.26 132.87 84.41 15.18 0.42 79.96 2.30 1.30 0.07 0.37 0.00 15.24 0.77 94 H C C 131.39 4.93 13.74 20.06 108.15 -116.87 -82.76 113.82 99.75 0.23 0.02 99.26 0.39 0.15 0.01 0.01 0.00 0.17 0.02