# 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 98.76 4.19 20.03 24.60 106.14 -152.54 -88.95 84.18 99.79 0.20 0.00 99.72 0.10 0.02 0.00 0.00 0.00 0.15 0.00 1 I C C 41.37 19.38 11.10 29.40 118.06 -158.12 -103.00 128.78 54.33 45.58 0.09 53.80 0.46 0.13 0.02 0.04 0.00 44.77 0.79 2 Q E E 95.82 5.49 20.51 26.98 121.17 -167.45 -114.22 134.01 17.63 82.25 0.12 16.14 1.02 0.18 0.04 0.07 0.00 81.74 0.81 3 L E E 40.70 19.89 13.18 32.29 122.04 -160.46 -112.36 133.16 11.34 88.59 0.07 10.58 0.67 0.11 0.03 0.03 0.00 87.99 0.59 4 T E E 65.14 7.58 21.01 29.36 124.92 -171.36 -122.33 141.76 15.52 84.39 0.09 14.02 1.17 0.17 0.03 0.05 0.00 83.39 1.17 5 Q E E 68.37 15.71 15.06 30.17 126.38 -165.19 -121.70 140.35 43.40 56.48 0.12 36.18 6.19 0.42 0.03 0.11 0.00 55.59 1.47 6 S C C 51.97 9.22 17.72 27.66 120.22 -138.40 -98.53 145.37 87.44 12.43 0.13 75.76 10.46 0.55 0.02 0.13 0.00 12.36 0.72 7 P C S 56.98 10.34 16.10 27.00 115.32 -37.91 -72.35 157.16 78.22 8.15 13.64 25.06 27.04 25.92 0.75 13.56 0.00 6.98 0.69 8 D C S 96.39 6.93 17.78 25.56 97.80 -136.22 -82.81 -11.59 71.44 16.90 11.67 14.58 30.81 27.09 0.69 10.59 0.01 15.28 0.95 9 S E E 51.44 8.45 19.52 28.77 136.34 18.97 -146.27 152.20 37.71 51.80 10.49 24.45 8.42 6.59 0.81 9.22 0.00 49.78 0.73 10 L E E 29.51 19.72 15.49 34.66 129.05 -170.65 -134.06 140.07 8.90 91.00 0.10 7.67 1.08 0.09 0.03 0.05 0.00 90.71 0.37 11 A E E 56.95 8.81 23.63 32.89 120.07 -151.34 -108.78 133.86 2.19 97.79 0.02 1.99 0.12 0.01 0.01 0.01 0.00 97.77 0.09 12 V E E 16.69 20.22 14.95 35.06 134.03 177.49 -138.17 154.48 4.68 95.30 0.02 4.43 0.20 0.02 0.01 0.01 0.00 95.09 0.24 13 S E E 49.65 5.86 23.39 29.24 120.77 -118.98 -84.14 155.34 30.98 68.90 0.12 28.77 1.64 0.21 0.04 0.08 0.00 66.22 3.03 14 L C T 66.10 15.40 14.01 29.18 109.02 -84.17 -60.20 133.92 98.44 1.04 0.52 0.43 3.27 95.15 0.03 0.34 0.00 0.66 0.11 15 G C T 47.19 4.02 19.61 24.38 95.88 22.89 88.98 -6.66 99.29 0.35 0.37 0.51 3.96 94.95 0.02 0.27 0.00 0.24 0.04 16 E C C 83.46 8.05 17.62 26.84 123.93 115.48 -87.97 154.04 95.48 4.18 0.34 52.63 42.52 0.86 0.07 0.25 0.00 2.89 0.77 17 R C C 130.39 8.38 18.80 28.47 122.21 -126.09 -102.33 141.52 82.13 17.82 0.05 81.76 0.90 0.09 0.01 0.03 0.00 16.34 0.86 18 A E E 10.81 21.55 14.74 36.06 130.79 -171.37 -129.73 149.15 4.55 95.44 0.01 4.56 0.12 0.01 0.00 0.01 0.00 94.96 0.33 19 T E E 66.13 8.04 24.75 33.39 121.06 -149.17 -115.16 132.30 1.07 98.93 0.00 1.03 0.04 0.00 0.00 0.00 0.00 98.89 0.04 20 I E E 6.65 25.10 16.09 41.80 119.96 -165.88 -115.77 127.39 4.26 95.72 0.01 3.97 0.23 0.02 0.00 0.00 0.00 95.61 0.17 21 N E E 72.94 7.29 26.70 34.39 113.87 -155.36 -102.11 122.99 27.11 72.84 0.05 24.76 1.38 0.11 0.01 0.03 0.00 73.48 0.23 22 C E E 6.14 25.46 15.25 40.82 123.02 -174.53 -116.60 135.53 41.91 57.84 0.24 39.39 1.74 0.24 0.07 0.14 0.00 57.40 1.02 23 K E E 99.05 7.17 26.00 33.59 121.52 -169.10 -112.62 135.66 26.54 72.53 0.93 22.12 2.64 0.64 0.58 0.51 0.00 60.78 12.73 24 S C C 21.00 21.05 14.49 34.44 119.93 -168.58 -103.44 146.94 52.87 41.90 5.23 43.84 6.14 2.49 2.15 3.26 0.01 37.52 4.60 25 S C C 57.48 7.85 19.93 28.12 105.85 -140.87 -85.10 49.24 69.90 14.87 15.22 29.96 28.63 13.28 4.93 9.02 0.08 11.98 2.12 26 Q C S 102.37 7.69 18.05 26.29 108.21 11.41 -95.25 60.66 65.57 12.63 21.79 22.48 28.29 17.05 8.71 11.39 0.26 8.96 2.87 27 S C C 49.20 11.83 17.02 28.96 113.40 89.73 -94.38 123.26 63.19 15.27 21.54 44.92 10.99 8.04 8.03 13.14 0.03 12.35 2.51 28 V C C 50.77 14.23 17.15 31.30 112.59 -152.72 -99.99 118.58 55.33 25.58 19.08 33.10 13.93 10.36 8.89 9.91 0.36 18.73 4.74 29 L C C 57.29 13.42 17.81 31.36 112.58 -162.94 -99.16 120.20 54.53 31.09 14.39 32.03 13.70 10.95 6.46 7.71 0.33 23.34 5.47 30 Y C C 83.20 13.33 14.29 27.94 118.93 -165.20 -107.88 134.41 64.66 30.09 5.24 43.34 15.75 5.53 2.55 3.09 0.12 20.39 9.24 31 R C C 111.15 7.11 14.70 23.14 119.62 -150.81 -104.14 139.70 86.36 12.56 1.08 67.37 15.50 3.19 0.41 0.76 0.00 9.25 3.52 32 P C T 93.92 5.32 12.12 19.03 100.23 -111.41 -63.81 -18.00 93.62 2.08 4.30 15.20 14.98 63.25 0.72 3.75 0.00 1.50 0.61 33 N C T 125.67 1.78 15.11 17.05 97.56 26.27 -83.15 7.72 94.60 1.09 4.32 10.78 16.55 66.93 0.62 4.00 0.00 0.75 0.37 34 N C C 66.80 10.88 12.29 23.87 117.03 91.10 -102.67 136.56 86.35 8.16 5.49 35.83 33.93 16.96 0.75 5.03 0.00 4.78 2.72 35 K C C 106.58 8.08 18.29 26.97 109.04 -131.69 -90.65 107.97 84.05 13.87 2.08 51.97 21.75 10.53 0.38 1.86 0.00 11.37 2.14 36 N C C 38.04 17.21 18.13 34.74 113.34 -143.80 -96.66 122.57 65.13 33.22 1.65 44.29 14.34 6.53 0.26 1.45 0.00 31.61 1.51 37 F E E 29.78 16.71 23.81 40.52 133.33 166.61 -128.89 152.44 21.73 78.07 0.20 18.46 2.95 0.40 0.05 0.14 0.00 76.90 1.08 38 L E E 3.92 25.53 22.25 48.08 123.48 -149.98 -115.34 135.73 4.73 95.25 0.02 4.14 0.42 0.04 0.01 0.01 0.00 95.24 0.14 39 A E E 8.75 19.51 27.06 46.11 131.43 -169.76 -127.02 149.12 1.22 98.77 0.00 1.11 0.05 0.00 0.00 0.00 0.00 98.81 0.03 40 W E E 10.20 23.76 22.92 46.40 126.64 -154.27 -119.21 141.60 0.78 99.22 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.01 41 Y E E 23.36 17.89 23.45 41.21 132.72 -173.06 -130.87 149.37 0.79 99.20 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.24 0.03 42 Q E E 44.04 14.12 21.76 36.13 120.77 -141.54 -108.95 134.71 3.06 96.93 0.00 2.59 0.23 0.01 0.00 0.00 0.00 97.03 0.13 43 Q E E 50.56 14.84 15.38 30.51 120.07 -154.06 -104.99 135.81 32.84 67.14 0.02 30.38 1.56 0.06 0.00 0.02 0.00 66.72 1.26 44 K C C 98.26 6.33 15.88 23.48 119.80 -140.39 -94.48 145.45 97.78 2.19 0.03 95.60 2.29 0.18 0.01 0.02 0.00 1.56 0.35 45 P C T 101.38 4.32 11.50 17.84 109.79 -87.27 -59.33 134.49 99.78 0.09 0.13 0.34 3.76 95.71 0.00 0.12 0.00 0.06 0.02 46 G C T 68.71 0.31 13.38 11.08 95.06 18.82 83.15 -3.75 99.82 0.06 0.12 0.43 3.74 95.64 0.00 0.13 0.00 0.04 0.01 47 Q C S 85.71 6.13 9.93 18.17 126.15 101.90 -109.79 151.32 96.18 3.76 0.07 30.03 66.55 0.22 0.01 0.04 0.00 1.22 1.92 48 P C C 95.65 2.14 17.50 19.56 116.26 -96.21 -65.14 149.71 98.45 1.53 0.01 91.35 7.09 0.15 0.00 0.01 0.00 1.19 0.20 49 P C C 45.84 17.91 11.33 28.49 115.18 -101.58 -64.22 145.01 93.87 6.11 0.02 91.94 1.80 0.13 0.00 0.02 0.00 5.91 0.21 50 K E E 91.43 8.36 21.76 30.74 124.55 -156.11 -120.48 138.14 12.06 87.90 0.04 10.40 1.44 0.10 0.01 0.02 0.00 87.35 0.68 51 L E E 55.97 16.44 18.77 34.75 110.49 -116.07 -74.59 127.72 0.82 99.18 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.21 0.02 52 L E E 19.03 18.76 21.30 40.15 101.35 176.02 -97.02 -35.67 1.77 98.23 0.00 1.15 0.48 0.01 0.00 0.00 0.00 98.35 0.01 53 I E E 9.93 21.50 21.98 43.53 137.20 4.96 -148.35 143.76 0.21 99.79 0.00 0.18 0.01 0.00 0.00 0.00 0.00 99.81 0.00 54 Y E E 48.37 18.03 24.26 41.17 128.36 -170.27 -130.33 136.88 0.54 99.45 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.49 0.01 55 W E E 29.16 20.44 23.05 42.58 123.13 -167.06 -118.40 134.80 10.91 88.94 0.15 8.93 1.39 0.20 0.05 0.06 0.00 89.06 0.30 56 A E E 18.88 17.36 22.46 39.49 131.15 -173.44 -133.02 146.76 41.49 56.08 2.43 31.59 8.16 2.49 0.84 1.41 0.00 54.41 1.09 57 S C C 25.52 15.81 20.08 35.69 126.15 -156.48 -121.26 147.40 68.87 27.00 4.12 47.61 16.04 5.51 1.41 2.53 0.01 24.79 2.10 58 T C C 55.82 11.89 18.33 30.47 114.88 -149.31 -105.64 132.53 72.18 17.68 10.14 47.41 16.36 8.97 4.84 5.23 0.05 13.02 4.10 59 R C C 122.30 8.86 15.78 25.22 107.24 -138.56 -88.90 72.54 74.23 12.10 13.67 43.57 17.59 13.94 5.48 7.82 0.04 8.16 3.41 60 Q C C 110.97 6.27 14.49 22.00 108.11 60.59 -89.11 90.52 77.47 8.77 13.76 37.98 19.67 21.25 4.03 8.78 0.03 5.38 2.90 61 S C T 71.35 5.88 14.13 21.30 109.38 -99.31 -91.25 107.78 85.50 4.75 9.75 27.33 22.50 36.77 2.42 6.46 0.02 2.75 1.75 62 G C C 50.32 4.54 16.36 21.84 103.74 -18.12 86.79 2.34 92.43 4.75 2.83 33.65 29.21 30.02 0.45 2.46 0.00 2.89 1.32 63 V C C 41.43 15.99 10.99 26.83 115.52 120.31 -97.49 129.19 89.66 9.62 0.72 64.29 23.79 1.73 0.26 0.49 0.00 4.74 4.70 64 P C C 62.11 8.16 16.14 25.53 112.71 -114.46 -65.90 149.06 86.58 5.67 7.75 58.98 11.31 15.70 1.50 6.82 0.00 4.13 1.57 65 D C C 102.29 5.98 17.46 24.56 97.96 -100.56 -67.45 -5.06 79.10 5.50 15.41 29.75 20.71 29.59 1.85 13.18 0.01 3.74 1.16 66 R C S 92.65 12.11 18.26 30.21 97.68 72.73 -86.01 -6.02 68.92 15.82 15.26 23.50 26.49 21.25 1.94 12.04 0.04 13.29 1.44 67 F E E 26.09 22.09 14.58 35.90 120.55 75.82 -111.60 131.65 23.72 69.48 6.81 16.80 5.98 3.90 2.42 3.99 0.03 64.59 2.29 68 S E E 48.66 9.38 23.05 33.14 133.90 150.09 -134.92 153.12 14.92 84.64 0.44 12.60 2.14 0.51 0.21 0.22 0.00 82.83 1.49 69 G E E 21.06 17.94 16.98 33.77 140.94 140.62 -157.11 165.92 16.63 83.14 0.22 14.06 2.40 0.58 0.07 0.13 0.00 81.94 0.81 70 S E E 61.37 6.47 21.91 29.95 135.97 -164.12 -146.08 156.80 24.88 74.88 0.24 21.15 3.26 0.68 0.07 0.17 0.00 73.52 1.16 71 G E E 28.24 12.04 16.61 28.94 139.03 138.15 -156.77 168.65 46.11 53.58 0.31 33.21 12.23 2.01 0.06 0.31 0.00 50.38 1.80 72 S C C 71.84 4.44 21.57 26.68 114.65 -122.36 -117.73 110.05 66.12 32.91 0.96 37.22 23.40 7.67 0.16 1.00 0.00 26.61 3.94 73 G C S 28.42 12.56 18.63 30.86 107.82 -47.97 68.44 -124.76 96.49 2.38 1.13 5.04 58.02 33.63 0.05 1.16 0.00 1.76 0.35 74 T C S 59.15 13.59 17.57 30.92 98.69 -1.07 -98.13 -3.63 95.62 3.36 1.02 4.96 59.89 30.98 0.05 0.99 0.00 2.76 0.39 75 D C E 64.54 8.32 22.72 32.09 120.12 82.91 -108.02 131.08 52.65 46.77 0.57 32.09 18.51 3.73 0.09 0.64 0.00 41.67 3.26 76 F E E 9.21 24.73 15.92 40.91 128.22 -174.82 -128.71 142.50 35.55 64.41 0.04 32.94 1.51 0.14 0.00 0.03 0.00 64.50 0.88 77 T E E 39.31 10.52 27.27 38.62 124.82 -163.75 -121.54 136.57 12.52 87.47 0.01 11.27 0.57 0.02 0.00 0.00 0.00 87.92 0.21 78 L E E 3.52 26.02 19.01 45.80 119.75 -162.00 -111.40 128.23 0.99 99.01 0.00 1.03 0.02 0.00 0.00 0.00 0.00 98.93 0.02 79 T E E 41.68 10.30 27.04 37.99 121.73 -165.91 -115.91 130.34 0.24 99.76 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.72 0.01 80 I E E 8.72 23.88 16.31 40.63 117.72 -166.69 -115.63 123.49 2.74 97.25 0.00 2.82 0.03 0.00 0.00 0.00 0.00 96.73 0.41 81 S C C 49.64 6.94 22.78 29.94 126.59 -167.29 -111.65 156.87 88.00 11.91 0.09 43.48 34.44 8.39 0.01 0.13 0.00 13.23 0.32 82 S C S 71.87 3.66 23.71 27.36 95.24 11.33 58.29 53.07 98.33 1.63 0.04 7.69 81.79 8.66 0.00 0.05 0.00 1.72 0.09 83 L C C 18.51 23.85 10.24 33.45 114.33 -153.34 -74.60 136.50 98.43 1.56 0.01 97.07 1.55 0.03 0.00 0.00 0.00 0.95 0.39 84 Q C C 81.70 4.33 24.56 28.65 132.17 -172.76 -127.78 160.91 93.98 6.00 0.02 93.95 0.37 0.01 0.01 0.00 0.00 1.03 4.63 85 A H G 51.86 14.06 15.26 29.24 91.02 -101.33 -59.19 -33.19 3.37 0.02 96.60 0.19 0.24 2.23 0.46 96.86 0.00 0.02 0.00 86 E H G 123.22 4.12 21.82 26.71 90.36 62.84 -70.65 -16.73 2.76 0.04 97.20 0.12 0.18 1.92 0.39 97.37 0.00 0.03 0.00 87 D H G 15.43 20.61 17.12 37.98 93.98 61.12 -88.17 -1.51 3.59 0.05 96.37 0.43 0.36 1.79 0.43 96.95 0.00 0.04 0.00 88 V C C 30.84 17.62 21.40 39.07 115.74 105.26 -80.70 133.25 83.14 16.14 0.73 78.93 4.29 0.31 0.13 0.57 0.00 15.07 0.69 89 A E E 10.79 19.68 23.22 41.79 141.93 155.98 -149.84 167.76 11.72 88.22 0.06 10.89 0.97 0.08 0.01 0.03 0.00 87.32 0.69 90 V E E 31.90 15.55 26.22 41.64 118.67 -101.05 -106.39 131.04 1.50 98.49 0.01 1.44 0.08 0.01 0.00 0.00 0.00 98.42 0.06 91 Y E E 6.99 25.26 21.31 46.59 121.96 -164.70 -112.61 134.26 0.85 99.14 0.01 0.76 0.06 0.01 0.00 0.00 0.00 99.16 0.02 92 Y E E 31.15 17.29 27.41 44.23 128.57 -172.16 -125.01 143.15 1.74 98.24 0.01 1.54 0.09 0.01 0.00 0.01 0.00 98.32 0.03 93 C E E 3.27 25.24 21.85 47.14 123.91 -161.40 -116.53 137.46 6.21 93.73 0.06 5.37 0.51 0.06 0.01 0.03 0.00 93.89 0.13 94 Q E E 34.00 15.33 26.00 41.12 127.54 -172.04 -123.89 142.94 7.40 92.47 0.12 6.50 0.63 0.11 0.03 0.05 0.00 92.49 0.19 95 Q E E 28.07 19.46 19.92 38.75 121.33 -154.04 -109.19 134.62 10.54 89.25 0.21 8.51 1.78 0.34 0.05 0.11 0.00 88.88 0.33 96 Y E E 72.80 11.99 19.59 32.20 119.16 -156.65 -108.21 130.99 19.30 80.44 0.25 15.76 3.23 0.63 0.07 0.17 0.00 79.12 1.02 97 H E E 69.08 12.27 13.78 26.71 119.54 -175.06 -116.12 142.96 48.57 51.06 0.36 37.06 9.95 1.87 0.08 0.32 0.00 49.25 1.47 98 T C S 94.13 3.81 15.31 20.07 105.74 -119.35 -92.13 -8.03 88.05 11.55 0.40 22.30 55.05 9.85 0.04 0.40 0.00 11.59 0.78 99 T C S 87.22 3.36 14.56 19.09 121.26 29.93 -111.95 140.25 93.60 5.96 0.44 19.36 64.05 10.00 0.05 0.44 0.00 5.39 0.71 100 P C C 80.92 6.00 15.33 22.53 113.70 -61.26 -71.42 147.20 87.60 11.67 0.73 55.02 24.37 7.58 0.11 0.71 0.00 11.43 0.76 101 L C C 58.73 15.25 13.23 28.38 116.02 -125.12 -89.05 134.86 59.92 39.41 0.68 50.64 6.03 1.98 0.14 0.53 0.00 39.25 1.44 102 T E E 64.54 9.36 19.69 29.73 121.94 -158.48 -113.80 135.66 29.98 69.45 0.56 25.75 3.04 0.81 0.22 0.35 0.00 65.58 4.25 103 F E E 58.25 18.19 14.92 32.25 116.16 -157.11 -107.53 128.66 33.42 65.78 0.80 25.79 6.66 2.15 0.32 0.60 0.00 59.85 4.62 104 G C C 31.85 10.14 18.86 29.06 118.50 -143.17 77.37 -167.32 67.09 31.95 0.96 32.40 23.88 11.89 0.13 0.91 0.00 29.27 1.52 105 G C S 47.01 6.73 19.94 26.84 101.88 -23.69 -55.04 2.44 77.41 21.45 1.15 27.24 34.17 16.38 0.11 1.15 0.00 19.66 1.28 106 G C C 22.52 14.16 16.73 30.47 123.62 -127.90 101.25 -169.59 72.87 26.47 0.66 41.99 24.49 6.18 0.07 0.74 0.00 25.54 0.98 107 T E E 37.79 16.73 17.53 33.85 123.99 -92.69 -114.59 138.44 40.81 59.04 0.15 35.37 3.87 0.46 0.03 0.12 0.00 59.43 0.72 108 K E E 106.81 8.28 22.50 31.50 121.15 -148.42 -107.96 134.44 8.90 91.03 0.07 7.91 0.76 0.09 0.02 0.03 0.00 90.84 0.34 109 V E E 17.80 22.31 14.15 36.12 121.61 -165.63 -116.24 131.68 3.90 96.07 0.03 3.74 0.16 0.03 0.01 0.01 0.00 95.88 0.17 110 D E E 76.20 5.26 23.03 28.67 118.60 -159.62 -107.48 129.19 4.95 95.01 0.04 4.74 0.22 0.04 0.01 0.02 0.00 94.68 0.30 111 I E E 35.87 19.89 11.07 30.03 116.53 -159.52 -104.53 126.27 20.84 79.07 0.10 20.76 0.33 0.09 0.04 0.04 0.00 77.76 1.00 112 K C C 127.40 4.13 19.24 24.28 116.27 -160.34 -100.32 128.19 98.79 1.20 0.01 98.85 0.07 0.02 0.00 0.00 0.00 1.05 0.02