# 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 100.70 3.96 20.08 24.59 109.91 -148.79 -88.85 103.71 99.70 0.30 0.00 99.69 0.06 0.02 0.00 0.00 0.00 0.22 0.01 1 V C C 37.12 19.88 10.43 28.99 119.85 -159.93 -105.01 131.86 53.10 46.72 0.18 52.50 0.51 0.19 0.05 0.08 0.00 45.56 1.12 2 Q E E 100.99 4.33 21.69 26.56 119.76 -162.27 -110.90 134.00 22.63 77.07 0.31 20.41 1.68 0.35 0.12 0.16 0.00 75.95 1.32 3 L E E 47.84 20.53 12.01 31.23 120.65 -154.36 -106.91 133.98 22.01 77.62 0.37 20.46 1.25 0.28 0.13 0.18 0.00 76.95 0.76 4 Q E E 90.39 6.57 20.94 28.33 124.77 -169.38 -119.22 139.88 24.54 74.83 0.63 21.06 3.01 0.74 0.19 0.38 0.00 73.48 1.14 5 E E E 95.61 12.82 15.78 28.50 117.38 -129.89 -93.66 134.28 41.52 57.80 0.68 34.92 5.10 1.18 0.17 0.50 0.00 56.70 1.43 6 S C C 51.37 11.29 16.58 28.11 109.74 -159.67 -96.28 45.70 73.84 25.82 0.34 57.87 13.24 1.74 0.07 0.32 0.00 25.49 1.27 7 G C S 29.61 6.99 19.40 27.10 135.33 -88.47 130.19 -178.02 83.99 15.93 0.08 40.83 41.98 1.30 0.01 0.09 0.00 15.08 0.70 8 P C C 77.04 8.49 17.74 26.87 114.32 -40.51 -69.02 147.40 84.25 15.67 0.08 55.79 26.07 1.35 0.01 0.10 0.00 16.18 0.49 9 G E E 23.18 12.84 18.95 31.57 132.31 150.66 -160.28 -19.50 17.70 82.25 0.05 13.53 4.29 0.35 0.01 0.06 0.00 80.96 0.81 10 L E E 79.17 10.65 22.01 32.63 121.39 -72.55 -108.12 134.00 3.72 96.27 0.01 3.37 0.31 0.02 0.00 0.01 0.00 95.76 0.54 11 V E E 14.71 21.37 15.06 36.30 126.72 -171.91 -124.14 139.57 6.68 93.31 0.01 6.42 0.31 0.01 0.00 0.00 0.00 90.89 2.37 12 K C C 105.16 4.94 23.96 29.00 119.86 -130.39 -87.97 150.19 92.07 7.92 0.01 91.42 0.95 0.04 0.00 0.01 0.00 7.02 0.55 13 P C T 48.67 15.45 14.06 29.37 110.41 -88.31 -60.88 140.79 99.48 0.26 0.26 0.26 2.63 96.73 0.01 0.19 0.00 0.15 0.04 14 S C T 77.73 4.52 20.02 25.39 94.44 15.82 76.13 3.35 99.51 0.24 0.24 0.38 2.85 96.38 0.01 0.20 0.00 0.17 0.02 15 Q C C 76.20 8.36 17.15 26.70 126.35 115.97 -99.36 155.96 92.18 7.66 0.16 66.57 25.33 0.44 0.02 0.16 0.00 6.88 0.60 16 S C C 61.65 8.87 18.78 28.66 123.55 -131.80 -106.14 143.34 50.83 49.15 0.02 50.77 0.56 0.03 0.00 0.01 0.00 47.92 0.70 17 L E E 16.47 21.51 14.85 36.23 126.97 -168.59 -126.22 142.44 1.58 98.42 0.00 1.64 0.03 0.00 0.00 0.00 0.00 98.19 0.13 18 S E E 56.72 7.88 24.15 32.71 122.64 -156.38 -115.25 135.90 0.68 99.32 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.26 0.03 19 L E E 8.49 24.41 15.77 40.41 124.40 -169.83 -122.21 135.75 3.66 96.34 0.00 3.54 0.13 0.01 0.00 0.00 0.00 96.24 0.08 20 T E E 61.11 7.57 25.98 34.08 121.73 -161.23 -112.12 135.92 15.57 84.42 0.01 14.55 0.44 0.02 0.00 0.01 0.00 84.84 0.14 21 C E E 5.75 24.82 15.16 40.26 128.91 -173.00 -128.08 144.79 22.24 77.73 0.03 21.07 0.57 0.03 0.01 0.01 0.00 78.13 0.18 22 T E E 59.07 7.38 26.97 34.96 122.31 -161.21 -119.30 134.20 8.56 91.40 0.04 7.92 0.54 0.06 0.02 0.02 0.00 89.96 1.49 23 V E E 9.78 24.33 14.86 39.29 121.84 -166.03 -115.97 131.49 15.03 84.88 0.08 13.97 0.81 0.09 0.04 0.05 0.00 81.34 3.71 24 T C C 65.50 6.76 22.93 30.08 124.46 -169.47 -114.94 146.28 60.45 39.06 0.50 46.43 11.54 1.95 0.09 0.47 0.00 38.16 1.34 25 G C S 36.48 8.35 19.22 27.80 113.16 18.74 84.74 -139.98 78.55 11.84 9.62 17.05 42.05 20.54 1.10 7.69 0.02 9.88 1.68 26 D C S 87.97 7.90 18.68 26.88 113.50 0.16 -95.25 125.55 74.62 10.97 14.41 23.00 31.97 21.36 1.60 12.01 0.03 8.13 1.90 27 S C C 52.15 10.47 20.54 30.82 107.92 59.30 -93.20 68.85 68.20 17.75 14.05 45.25 12.10 11.01 1.82 12.47 0.01 14.90 2.44 28 V C C 15.75 23.39 12.88 35.61 114.58 94.33 -95.54 126.03 67.79 28.41 3.80 54.76 7.92 3.45 1.39 2.62 0.00 22.16 7.70 29 T C C 78.29 6.63 21.56 28.52 108.22 126.19 -104.99 7.48 80.86 17.47 1.67 63.73 11.83 4.74 0.49 1.30 0.00 15.04 2.88 30 S C S 46.01 9.64 17.69 27.93 129.76 71.43 -125.35 168.80 87.07 10.56 2.37 23.22 46.18 18.28 0.42 1.84 0.00 8.32 1.74 31 D C S 89.50 7.21 20.25 27.69 97.21 -100.39 -80.70 5.46 90.84 7.88 1.28 12.50 58.74 19.20 0.12 1.09 0.00 7.74 0.60 32 Y C E 50.83 16.98 17.52 34.17 124.14 84.63 -107.59 146.68 55.82 43.32 0.86 30.81 19.86 6.24 0.10 0.83 0.00 41.18 0.98 33 A E E 19.21 15.29 24.41 39.69 129.32 -160.51 -124.98 148.79 16.56 83.38 0.05 14.59 1.45 0.14 0.01 0.04 0.00 83.37 0.39 34 W E E 7.00 25.29 21.18 46.62 126.07 -153.93 -118.80 140.33 2.02 97.98 0.00 1.87 0.07 0.00 0.00 0.00 0.00 98.00 0.05 35 S E E 13.92 17.56 27.38 44.51 132.16 -173.72 -131.07 148.49 0.60 99.40 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.44 0.01 36 W E E 7.32 24.62 22.35 47.00 125.61 -154.96 -117.17 139.77 0.62 99.38 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 37 I E E 16.64 17.52 24.77 42.29 126.58 -168.73 -122.61 139.50 0.49 99.51 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.01 38 R E E 33.35 18.27 21.08 39.00 122.81 -159.10 -114.12 135.79 0.96 99.04 0.00 0.84 0.04 0.00 0.00 0.00 0.00 99.09 0.02 39 Q E E 60.09 11.57 19.52 31.88 115.74 -146.10 -103.32 123.56 7.80 92.19 0.01 7.08 0.38 0.02 0.00 0.01 0.00 92.15 0.36 40 F C C 48.24 12.69 13.22 27.20 119.94 -145.13 -89.80 150.24 93.94 5.97 0.09 91.91 1.65 0.37 0.01 0.06 0.00 5.53 0.45 41 P C T 87.64 5.95 12.93 20.37 109.13 -81.76 -59.34 135.92 97.95 0.32 1.73 1.08 4.89 91.69 0.05 2.00 0.00 0.21 0.07 42 G C T 66.73 0.50 13.37 11.91 97.46 16.68 82.21 -3.48 97.81 0.13 2.06 0.96 4.62 91.89 0.06 2.34 0.00 0.08 0.04 43 K C S 118.52 5.75 10.49 17.89 120.44 86.15 -112.57 157.24 95.57 2.08 2.34 31.23 58.28 5.98 0.27 2.25 0.00 1.10 0.89 44 K C C 142.39 1.98 17.05 19.17 118.02 -102.30 -84.20 146.38 91.72 8.10 0.18 83.77 7.28 0.58 0.04 0.15 0.00 7.17 1.01 45 L E E 51.71 18.70 10.72 28.40 115.55 -111.54 -80.32 136.17 35.62 64.35 0.03 34.38 0.71 0.04 0.00 0.02 0.00 64.56 0.29 46 E E E 79.53 8.20 21.36 30.29 125.20 -166.63 -120.91 138.19 2.40 97.59 0.01 2.07 0.16 0.01 0.00 0.00 0.00 97.70 0.05 47 W E E 100.77 14.97 18.69 33.34 110.59 -115.47 -74.20 127.54 0.63 99.36 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.02 48 M E E 20.22 18.78 20.58 39.63 101.23 175.92 -101.34 -25.38 3.60 96.39 0.02 2.50 0.82 0.08 0.00 0.01 0.00 96.57 0.02 49 G E E 3.69 16.86 23.55 41.12 145.28 -48.21 165.66 172.50 2.12 97.87 0.01 1.45 0.36 0.05 0.00 0.01 0.00 98.12 0.02 50 Y E E 42.39 17.47 24.64 41.64 132.49 -105.97 -135.49 148.96 1.69 98.30 0.01 1.49 0.09 0.01 0.00 0.00 0.00 98.36 0.05 51 I E E 8.47 22.72 20.12 43.11 120.27 -151.42 -114.88 128.84 3.64 96.34 0.02 3.05 0.39 0.03 0.01 0.01 0.00 96.31 0.20 52 T E E 31.68 11.94 22.93 35.53 125.13 -168.95 -116.33 143.20 15.41 84.44 0.15 12.43 2.14 0.47 0.03 0.11 0.00 84.32 0.49 53 Y C E 71.26 16.72 15.28 31.46 99.15 -147.29 -86.04 -7.78 51.27 46.92 1.81 17.30 17.71 18.88 0.23 1.61 0.01 42.84 1.42 54 S C T 74.79 3.64 18.16 22.17 98.90 58.46 -89.74 5.59 87.67 10.29 2.04 10.06 26.52 51.23 0.16 2.01 0.00 9.15 0.86 55 G C T 45.55 5.96 14.85 21.90 101.24 -84.82 87.88 0.70 92.51 5.45 2.04 13.36 37.15 42.03 0.14 2.08 0.00 4.59 0.66 56 N C C 92.63 4.59 16.67 22.49 119.96 111.53 -100.25 141.65 64.84 34.32 0.84 43.42 16.55 5.34 0.16 0.84 0.00 31.12 2.57 57 T C E 63.51 14.77 12.82 27.08 116.03 -159.66 -110.69 117.06 50.08 49.26 0.66 38.06 9.63 2.35 0.15 0.60 0.00 46.87 2.35 58 I E E 91.27 5.56 20.41 26.83 122.16 -171.60 -117.74 134.98 44.11 55.35 0.54 32.71 9.81 2.14 0.15 0.47 0.00 51.85 2.87 59 Y E E 87.48 16.53 13.71 29.45 121.34 -146.19 -99.58 140.64 49.03 50.55 0.42 39.14 8.19 0.97 0.24 0.31 0.00 41.36 9.79 60 N C C 35.54 14.19 13.07 28.16 109.35 -124.15 -81.91 118.89 98.71 1.22 0.07 96.75 2.11 0.12 0.03 0.02 0.00 0.79 0.18 61 P H G 99.19 2.81 16.55 20.41 91.53 -145.30 -60.70 -30.50 36.22 0.21 63.57 1.86 2.73 30.84 16.76 47.57 0.01 0.13 0.10 62 S H G 66.05 5.02 17.00 23.20 90.74 62.57 -69.26 -21.54 35.38 0.15 64.47 0.91 2.05 32.52 16.01 48.33 0.01 0.08 0.09 63 L H G 10.16 22.26 10.79 32.87 97.49 44.65 -96.05 -6.10 30.36 0.36 69.28 2.28 2.93 24.20 17.69 52.51 0.02 0.23 0.14 64 K H T 109.26 11.45 15.05 27.07 93.55 95.77 -59.88 -35.48 43.79 1.09 55.11 2.82 2.93 37.04 22.25 33.51 0.10 0.66 0.68 65 S C T 92.05 1.24 20.46 20.38 92.95 50.52 -73.91 -9.14 61.91 0.32 37.78 1.21 2.65 59.59 10.21 25.91 0.02 0.21 0.20 66 R C T 77.77 13.69 17.07 30.71 99.49 51.99 -100.62 -12.94 69.84 1.11 29.05 3.24 7.75 59.34 6.90 21.49 0.02 0.93 0.33 67 I E E 6.15 25.45 12.52 38.22 127.04 55.67 -123.76 140.47 11.22 88.53 0.25 9.01 2.36 0.23 0.16 0.11 0.00 87.00 1.13 68 S E E 46.61 7.05 26.63 34.24 130.04 -174.84 -128.81 146.33 3.46 96.50 0.04 3.16 0.19 0.03 0.01 0.02 0.00 96.48 0.11 69 I E E 23.59 23.80 14.66 38.01 123.85 -158.59 -121.50 131.96 3.86 96.10 0.03 3.63 0.12 0.01 0.01 0.01 0.00 96.15 0.06 70 T E E 62.01 6.32 25.15 31.83 127.82 -174.48 -126.56 143.44 4.14 95.84 0.02 3.63 0.25 0.02 0.00 0.01 0.00 96.01 0.07 71 R E E 80.96 18.10 13.59 30.78 121.26 -153.53 -113.29 131.99 3.69 96.27 0.04 3.15 0.38 0.05 0.01 0.02 0.00 96.09 0.30 72 D E E 55.81 6.61 17.09 25.44 109.03 -157.15 -107.70 106.93 21.09 78.84 0.07 20.21 0.77 0.10 0.02 0.05 0.00 77.77 1.08 73 T C T 78.33 8.95 12.18 22.78 93.74 -169.09 -68.25 -25.68 91.02 0.92 8.07 1.97 7.76 79.84 0.18 9.37 0.00 0.69 0.18 74 S C T 93.98 0.80 15.27 14.77 93.01 56.43 -69.65 -32.75 90.77 0.81 8.42 1.21 7.71 80.59 0.19 9.56 0.00 0.54 0.20 75 K C T 113.50 3.83 15.40 20.00 98.04 34.25 -95.94 -3.10 92.03 0.28 7.70 2.58 13.97 73.73 0.17 9.28 0.00 0.18 0.09 76 N C T 61.53 12.74 15.06 28.74 95.15 -129.21 56.66 42.86 99.40 0.33 0.27 9.56 10.18 79.66 0.03 0.25 0.00 0.28 0.04 77 Q E E 46.01 11.49 21.69 34.08 134.62 127.80 -133.86 153.62 12.59 87.40 0.01 11.04 1.19 0.09 0.00 0.01 0.00 86.60 1.06 78 F E E 8.56 23.83 18.52 42.67 125.42 -156.30 -121.17 140.33 1.63 98.37 0.00 1.53 0.05 0.00 0.00 0.00 0.00 98.35 0.07 79 F E E 39.83 13.66 26.30 40.37 124.84 -162.07 -121.23 137.03 1.68 98.32 0.00 1.42 0.07 0.00 0.00 0.00 0.00 98.50 0.01 80 L E E 3.58 25.70 19.56 46.01 118.48 -151.91 -108.06 128.80 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 81 Q E E 59.05 10.74 27.19 38.37 117.10 -160.96 -109.93 125.38 0.26 99.74 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.01 82 L E E 6.42 24.93 16.09 41.65 116.85 -163.50 -108.62 125.66 8.79 91.21 0.00 9.13 0.06 0.00 0.00 0.00 0.00 89.94 0.87 83 K C C 95.90 6.97 23.24 30.39 120.69 -164.33 -103.86 146.06 91.42 8.54 0.05 45.78 41.48 3.07 0.00 0.08 0.00 9.37 0.23 84 S C S 60.27 5.25 24.43 29.84 100.74 9.23 58.79 67.02 97.58 2.39 0.03 10.67 83.90 2.94 0.00 0.04 0.00 2.28 0.18 85 V C C 11.42 24.70 11.66 36.40 114.49 -149.21 -82.29 131.53 97.81 2.17 0.02 96.92 1.26 0.03 0.00 0.01 0.00 1.02 0.77 86 I C C 64.78 5.75 24.65 30.39 132.89 -176.50 -127.56 164.65 96.19 3.76 0.04 96.23 0.46 0.02 0.02 0.01 0.00 0.82 2.45 87 I H G 79.30 14.05 15.75 29.66 91.35 -99.57 -60.28 -31.14 6.34 0.12 93.54 1.07 0.75 3.53 0.80 93.76 0.00 0.09 0.01 88 E H G 125.73 3.40 21.82 25.77 90.24 62.84 -71.37 -16.64 5.46 0.20 94.33 0.69 0.68 3.36 0.73 94.34 0.00 0.18 0.01 89 D H G 13.34 21.51 15.75 37.35 94.65 66.46 -85.01 0.82 6.80 0.20 93.00 2.09 1.00 2.21 0.84 93.69 0.00 0.17 0.01 90 T C C 42.24 15.96 20.83 36.42 115.03 110.97 -79.66 132.25 93.54 5.44 1.02 89.20 4.14 0.57 0.24 0.72 0.00 4.48 0.65 91 A E E 17.45 16.20 22.65 38.41 142.99 130.06 -154.52 172.84 11.43 88.34 0.23 10.64 0.93 0.17 0.13 0.11 0.00 85.70 2.31 92 T E E 40.53 13.03 25.27 38.55 119.68 -96.92 -102.68 135.80 4.98 94.89 0.13 4.65 0.37 0.08 0.05 0.06 0.00 94.50 0.29 93 Y E E 8.63 24.79 19.88 44.69 125.19 -166.36 -117.84 139.33 4.92 94.81 0.26 4.27 0.57 0.20 0.10 0.12 0.00 94.50 0.23 94 Y E E 35.33 16.73 27.29 43.62 126.90 -164.86 -121.58 141.40 8.84 90.67 0.49 7.64 0.89 0.34 0.20 0.21 0.00 90.27 0.44 95 C E E 4.34 24.42 21.70 46.00 126.56 -162.30 -119.62 142.43 29.64 69.14 1.22 25.36 3.12 0.96 0.56 0.52 0.00 68.45 1.03 96 S E E 15.40 16.56 23.02 39.50 126.66 -161.97 -118.46 145.75 42.03 55.82 2.15 33.17 6.96 2.54 0.95 1.21 0.00 53.06 2.11 97 R C C 83.27 14.11 19.72 33.38 114.38 -153.47 -103.00 124.19 59.52 34.87 5.61 31.28 18.48 12.99 1.93 3.48 0.06 29.09 2.69 98 G C C 36.00 7.92 19.63 27.76 115.92 5.44 97.43 -10.93 77.51 14.58 7.91 32.01 25.61 21.60 2.44 5.00 0.04 11.23 2.07 99 V C C 80.48 10.04 15.28 25.63 105.53 -61.82 -86.35 29.27 76.84 8.46 14.70 33.05 23.54 21.79 5.79 8.04 0.07 5.58 2.13 100 D C C 91.19 5.94 16.32 23.33 104.49 72.81 -87.23 40.75 73.58 10.00 16.42 31.58 21.24 22.37 6.19 9.29 0.11 6.82 2.40 101 Y C C 111.65 10.92 16.13 27.09 104.63 61.88 -85.36 34.90 64.76 19.48 15.76 27.95 17.32 21.38 6.31 8.70 0.29 13.96 4.09 102 W C C 96.45 13.94 16.29 29.73 104.03 60.47 -92.25 18.28 63.94 24.37 11.69 28.68 15.07 21.76 4.87 6.47 0.26 17.30 5.59 103 G C C 26.70 12.07 17.99 30.02 118.84 -148.43 80.86 -166.67 75.05 20.04 4.91 33.71 22.16 20.95 1.29 3.45 0.03 15.38 3.05 104 Q C C 103.72 8.31 21.29 29.60 105.23 -52.99 -87.13 57.17 75.38 21.10 3.53 38.53 24.09 13.87 0.83 2.65 0.01 17.33 2.69 105 G C C 16.61 17.93 17.62 34.23 125.05 -126.99 98.13 175.80 71.90 27.16 0.95 47.38 18.23 5.94 0.15 0.88 0.00 26.07 1.34 106 T E E 27.93 17.90 20.42 37.75 123.20 -98.55 -110.57 141.22 31.98 67.75 0.27 27.83 3.35 0.49 0.09 0.17 0.00 66.87 1.20 107 S E E 50.30 11.94 23.82 35.44 122.21 -140.41 -105.26 137.65 8.54 91.36 0.10 7.64 0.74 0.11 0.04 0.04 0.00 91.04 0.38 108 V E E 9.88 23.61 16.68 40.50 123.10 -167.35 -120.27 132.91 4.90 95.04 0.06 4.63 0.24 0.04 0.02 0.02 0.00 94.90 0.14 109 T E E 61.05 7.64 25.63 33.72 119.03 -153.89 -106.71 131.08 4.79 95.14 0.07 4.34 0.36 0.07 0.03 0.02 0.00 94.88 0.29 110 V E E 14.15 23.00 12.99 35.74 119.23 -160.02 -108.01 131.06 13.20 86.64 0.16 12.06 0.84 0.16 0.09 0.07 0.00 85.86 0.93 111 S E E 55.58 5.89 19.39 25.96 128.23 -172.91 -119.34 158.12 44.54 55.28 0.19 42.51 1.09 0.29 0.06 0.11 0.00 54.45 1.49 112 S C C 72.78 6.76 16.26 23.99 108.00 -97.70 -74.06 130.25 99.45 0.55 0.01 99.35 0.19 0.04 0.00 0.00 0.00 0.40 0.02