# 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 103.50 3.63 20.64 24.43 104.42 -124.39 -76.79 78.52 99.83 0.17 0.00 99.77 0.09 0.02 0.00 0.00 0.00 0.11 0.01 1 I C C 38.79 20.45 10.46 29.52 118.32 -161.25 -99.38 130.90 64.34 35.51 0.15 63.50 0.53 0.19 0.03 0.06 0.00 34.85 0.82 2 Q E E 102.34 4.46 21.30 26.61 123.25 -169.66 -119.11 137.65 25.83 73.89 0.28 23.72 1.53 0.33 0.11 0.17 0.00 72.66 1.48 3 M E E 54.65 19.34 12.17 30.39 119.67 -151.36 -105.83 132.11 21.20 78.49 0.31 19.53 1.23 0.29 0.14 0.18 0.00 76.38 2.27 4 T E E 71.31 6.82 19.47 27.09 116.96 -172.42 -113.89 130.91 35.98 63.62 0.39 29.46 5.71 0.90 0.12 0.29 0.00 61.63 1.90 5 Q C C 88.81 10.10 17.20 27.81 127.06 -148.60 -122.38 140.53 63.58 36.08 0.34 39.21 23.85 1.68 0.07 0.31 0.00 33.43 1.46 6 S C C 52.45 12.07 15.65 28.04 120.62 -137.74 -96.64 142.54 88.13 11.73 0.14 60.83 26.21 0.97 0.02 0.13 0.00 11.18 0.65 7 P C C 49.78 12.27 15.64 28.25 115.28 -31.62 -70.92 152.17 90.85 7.74 1.41 70.47 14.40 5.19 0.19 1.47 0.00 7.63 0.65 8 S C S 72.81 6.86 17.25 25.13 98.06 -146.14 -83.05 -21.52 80.05 18.67 1.28 30.96 42.36 6.41 0.14 1.20 0.00 17.99 0.94 9 S E E 59.05 6.41 19.98 27.59 134.52 11.37 -146.35 149.19 28.41 69.82 1.77 20.25 7.68 2.65 0.38 1.34 0.00 66.57 1.14 10 L E E 36.99 19.73 14.32 33.18 130.01 -174.39 -136.34 141.44 12.09 87.34 0.57 10.52 1.48 0.40 0.23 0.30 0.00 86.15 0.92 11 S E E 64.17 6.78 22.67 30.68 126.50 -162.27 -122.78 141.96 10.89 88.67 0.44 9.36 1.37 0.42 0.17 0.23 0.00 87.67 0.77 12 A E E 17.17 19.21 14.55 33.51 137.84 173.37 -145.74 157.22 24.36 74.80 0.84 20.07 3.37 1.09 0.25 0.53 0.00 73.88 0.81 13 S E E 56.51 5.19 23.22 28.43 122.44 -119.81 -94.82 153.02 45.68 52.92 1.40 33.50 9.81 3.57 0.35 1.12 0.00 49.86 1.80 14 V C T 58.32 15.95 14.02 29.53 109.88 -90.95 -63.70 134.01 73.79 22.96 3.25 12.18 21.56 41.87 0.43 2.73 0.02 19.14 2.07 15 G C T 43.12 5.58 20.00 26.29 98.68 23.48 90.42 -7.09 90.27 7.31 2.42 11.97 33.48 44.91 0.18 2.32 0.00 6.41 0.71 16 D C S 64.29 8.94 18.03 27.68 124.82 101.53 -95.10 156.78 88.06 10.51 1.43 24.13 53.03 10.51 0.12 1.40 0.00 9.97 0.84 17 R C C 122.41 8.28 20.41 29.33 119.82 -111.57 -97.96 137.71 54.38 45.35 0.26 47.44 4.38 0.77 0.03 0.24 0.00 46.59 0.55 18 V E E 10.07 23.30 14.32 37.78 125.13 -167.30 -122.72 137.80 5.18 94.81 0.01 4.89 0.17 0.01 0.00 0.00 0.00 94.74 0.18 19 T E E 59.00 8.34 25.72 34.51 119.01 -155.30 -111.60 129.13 1.07 98.93 0.00 0.99 0.03 0.00 0.00 0.00 0.00 98.95 0.02 20 I E E 4.90 25.65 16.95 43.38 120.67 -166.34 -115.08 129.46 1.67 98.33 0.00 1.51 0.07 0.00 0.00 0.00 0.00 98.40 0.02 21 T E E 42.67 9.63 27.01 37.38 121.82 -166.78 -114.60 135.09 5.17 94.83 0.01 4.68 0.17 0.01 0.00 0.00 0.00 95.09 0.05 22 C E E 4.41 25.67 16.87 42.98 127.80 -172.78 -126.92 141.98 6.27 93.71 0.01 5.58 0.32 0.02 0.00 0.01 0.00 93.98 0.09 23 R E E 104.15 7.43 27.30 35.52 121.05 -164.72 -119.14 132.69 4.85 95.11 0.04 4.45 0.30 0.04 0.01 0.02 0.00 94.71 0.46 24 A E E 10.54 23.53 14.02 37.05 123.56 -162.47 -104.62 144.01 35.46 64.27 0.27 33.47 1.57 0.28 0.09 0.17 0.00 62.35 2.07 25 S C C 48.22 7.70 20.00 28.19 119.05 -136.48 -88.13 161.80 75.84 23.29 0.87 53.02 18.63 3.83 0.16 0.83 0.00 21.95 1.58 26 Q C S 123.19 4.84 17.40 23.02 100.48 -65.09 -71.43 -7.92 91.67 5.20 3.13 13.57 47.23 31.40 0.42 2.49 0.00 3.95 0.94 27 S C S 72.95 4.60 19.05 24.39 107.99 37.98 -96.97 63.52 93.63 3.24 3.12 23.39 39.13 31.29 0.38 2.84 0.00 2.20 0.75 28 V C C 49.01 16.67 16.04 31.80 112.76 -63.67 -92.51 130.43 87.06 9.10 3.84 45.39 28.67 13.38 0.70 3.42 0.00 5.66 2.79 29 S C C 27.32 16.03 18.86 34.47 120.48 -147.87 -101.08 146.20 87.89 9.39 2.72 68.31 12.30 6.73 0.38 2.61 0.00 8.37 1.28 30 S C S 49.77 12.02 22.62 34.35 98.94 -151.31 -90.97 -12.92 85.03 13.66 1.31 32.03 47.64 4.99 0.13 1.17 0.00 13.34 0.71 31 A E E 25.13 14.06 24.70 38.89 129.35 46.85 -128.52 144.43 28.49 70.77 0.73 21.99 5.45 1.32 0.09 0.62 0.00 70.00 0.53 32 V E E 2.69 26.57 19.95 47.05 125.89 -162.67 -124.52 137.30 4.17 95.81 0.02 3.81 0.27 0.02 0.00 0.01 0.00 95.77 0.11 33 A E E 13.72 16.75 27.89 44.59 128.81 -168.32 -124.81 143.90 0.63 99.37 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.39 0.01 34 W E E 8.69 24.59 22.12 46.63 125.20 -156.86 -114.44 139.76 0.44 99.56 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.58 0.01 35 Y E E 27.10 16.35 23.70 40.19 132.73 -174.53 -131.07 151.36 0.67 99.33 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.36 0.03 36 Q E E 43.39 14.47 21.21 35.93 121.03 -143.34 -111.67 135.81 3.89 96.11 0.00 3.14 0.46 0.02 0.00 0.00 0.00 96.28 0.09 37 Q E E 56.71 13.65 15.37 29.58 118.28 -143.47 -100.42 133.80 30.09 69.88 0.03 26.94 2.20 0.09 0.00 0.02 0.00 69.55 1.19 38 K C C 98.00 6.25 15.09 22.75 120.73 -143.10 -96.47 144.88 97.89 2.08 0.03 96.13 1.89 0.17 0.01 0.02 0.00 1.44 0.34 39 P C T 105.41 3.58 11.31 16.87 109.53 -85.83 -58.87 134.33 99.56 0.13 0.31 0.47 3.80 95.31 0.01 0.30 0.00 0.08 0.03 40 G C T 69.12 0.29 12.86 10.57 96.05 17.70 83.20 -2.97 99.58 0.10 0.32 0.55 3.79 95.23 0.01 0.34 0.00 0.07 0.02 41 K C S 109.03 4.47 10.66 17.29 128.51 91.24 -115.78 159.26 93.66 5.93 0.41 30.86 61.62 1.39 0.08 0.32 0.00 2.19 3.53 42 A C C 73.87 2.67 16.93 19.92 116.16 -98.34 -70.29 149.37 97.10 2.87 0.03 86.30 10.86 0.19 0.01 0.03 0.00 2.23 0.39 43 P C C 42.39 18.36 10.88 28.39 115.12 -101.59 -65.30 144.63 88.40 11.57 0.03 86.81 1.75 0.14 0.00 0.03 0.00 10.88 0.38 44 K E E 102.14 6.56 21.30 28.76 124.48 -156.12 -119.05 138.09 11.67 88.26 0.07 10.05 1.48 0.13 0.02 0.05 0.00 87.47 0.80 45 L E E 65.76 15.62 17.24 32.44 110.97 -115.81 -75.36 127.07 1.37 98.62 0.01 1.23 0.07 0.00 0.00 0.00 0.00 98.64 0.05 46 L E E 31.83 16.32 20.52 36.90 101.40 175.75 -96.48 -34.07 2.83 97.16 0.01 1.81 0.84 0.03 0.00 0.00 0.00 97.30 0.02 47 I E E 23.23 18.41 21.22 39.45 136.52 4.42 -147.63 143.02 0.50 99.50 0.00 0.40 0.04 0.00 0.00 0.00 0.00 99.55 0.01 48 Y E E 54.85 18.52 20.70 38.08 129.08 -171.55 -133.63 137.43 2.43 97.55 0.02 2.11 0.14 0.01 0.01 0.01 0.00 97.62 0.09 49 S E E 26.14 14.27 21.59 35.86 121.47 -169.41 -118.62 136.55 26.24 72.51 1.25 20.51 5.11 1.19 0.50 0.67 0.00 71.34 0.67 50 A C C 35.01 15.05 17.25 31.96 105.28 -146.23 -85.11 60.20 52.07 18.56 29.37 29.17 13.77 11.28 8.40 19.35 0.08 16.22 1.73 51 S C G 70.22 6.27 18.87 25.54 99.65 56.45 -80.72 -16.65 55.02 5.66 39.33 21.10 15.46 20.14 12.40 25.52 0.12 3.71 1.56 52 S C G 57.86 7.92 18.14 26.56 105.32 50.20 -96.62 32.10 52.90 6.14 40.96 25.72 11.84 16.64 13.91 26.19 0.09 3.81 1.80 53 L C C 52.16 17.16 12.71 28.80 109.45 80.45 -88.49 103.99 58.25 9.98 31.76 35.75 11.81 10.94 15.88 16.15 0.09 6.32 3.05 54 Y C C 127.83 7.90 16.32 25.04 110.69 81.80 -97.50 101.92 63.62 12.56 23.82 38.30 12.09 13.52 13.53 10.20 0.14 7.93 4.29 55 S C T 74.26 5.69 15.83 22.70 110.22 -95.67 -88.69 114.77 82.07 5.43 12.50 22.85 16.28 43.48 6.73 5.29 0.05 3.44 1.89 56 G C T 48.16 5.62 17.11 23.67 102.84 4.61 86.45 1.79 94.01 2.47 3.52 23.67 25.73 45.00 0.84 2.45 0.00 1.56 0.74 57 V C C 40.80 16.31 12.02 28.19 117.12 107.98 -98.65 130.64 91.33 7.91 0.76 56.98 32.90 1.89 0.28 0.49 0.00 3.78 3.67 58 P C C 62.88 8.89 17.20 27.04 107.43 -109.64 -66.41 145.15 88.43 4.92 6.65 56.00 15.54 16.29 0.99 6.46 0.00 3.56 1.16 59 S C C 64.70 9.96 16.78 26.96 98.33 -113.79 -73.31 -5.93 81.45 8.67 9.88 38.94 22.01 21.09 1.02 9.29 0.00 6.38 1.26 60 R C C 110.76 9.46 19.69 29.34 102.37 67.46 -94.59 23.99 62.99 27.11 9.90 37.26 16.47 10.58 1.26 8.14 0.01 24.83 1.45 61 F E E 28.38 22.73 12.92 34.70 121.25 106.87 -106.56 136.47 24.10 75.16 0.74 20.63 3.32 0.79 0.26 0.45 0.00 73.09 1.46 62 S E E 56.01 6.08 23.88 31.05 132.70 -176.43 -135.27 153.58 9.03 90.80 0.17 7.99 0.87 0.18 0.07 0.08 0.00 90.15 0.65 63 G E E 23.56 18.42 15.06 32.18 140.89 169.21 -156.41 168.24 10.73 89.14 0.13 8.92 1.40 0.27 0.03 0.08 0.00 89.01 0.29 64 S E E 60.18 5.24 22.48 28.91 134.46 -153.01 -143.29 153.98 10.57 89.24 0.18 8.40 1.70 0.39 0.03 0.13 0.00 89.09 0.26 65 R E E 95.84 16.99 12.73 28.64 127.95 -158.07 -130.39 141.86 14.93 84.78 0.29 10.83 3.66 1.01 0.04 0.25 0.00 83.39 0.82 66 S E E 72.32 3.33 19.61 23.30 115.96 -170.48 -124.58 106.34 36.15 63.29 0.56 24.81 8.33 4.09 0.09 0.55 0.00 60.78 1.35 67 G C T 41.11 6.22 18.50 25.29 110.56 -55.52 64.39 -129.53 98.78 0.86 0.35 2.00 37.33 59.55 0.01 0.37 0.00 0.66 0.09 68 T C T 56.77 13.85 15.54 29.51 97.79 -14.23 -99.66 -0.15 98.83 0.89 0.28 1.70 38.50 58.72 0.01 0.29 0.00 0.70 0.07 69 D E E 57.80 9.24 21.67 32.00 120.92 87.25 -105.43 134.69 21.43 78.53 0.04 15.06 6.26 0.45 0.01 0.05 0.00 77.18 1.01 70 F E E 7.46 24.47 15.90 40.98 126.60 -170.09 -124.10 139.38 5.43 94.57 0.00 5.21 0.12 0.00 0.00 0.00 0.00 94.54 0.13 71 T E E 32.33 10.38 26.95 38.47 122.19 -162.88 -117.91 133.04 1.61 98.39 0.00 1.39 0.04 0.00 0.00 0.00 0.00 98.55 0.01 72 L E E 3.05 26.03 19.05 45.94 119.50 -163.67 -112.86 129.08 0.23 99.77 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 73 T E E 38.32 10.42 27.25 38.50 120.51 -164.22 -115.52 128.97 0.12 99.88 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 74 I E E 7.05 24.13 16.76 41.44 117.54 -165.92 -113.34 125.84 1.65 98.35 0.00 1.71 0.02 0.00 0.00 0.00 0.00 97.99 0.29 75 S C C 45.90 7.61 23.04 30.86 121.72 -167.94 -102.27 160.35 91.53 8.42 0.05 46.70 40.01 3.14 0.00 0.09 0.00 9.85 0.21 76 S C S 65.38 4.90 24.11 29.11 98.74 10.20 58.54 60.42 99.07 0.91 0.03 11.04 84.38 3.68 0.00 0.03 0.00 0.77 0.08 77 L C C 17.63 23.85 10.84 34.26 112.85 -145.79 -75.19 131.45 99.21 0.77 0.01 97.21 2.07 0.03 0.01 0.01 0.00 0.27 0.41 78 Q C C 80.35 4.53 24.17 28.54 130.74 -175.81 -126.41 156.98 99.89 0.10 0.01 99.34 0.56 0.01 0.00 0.00 0.00 0.02 0.07 79 P H G 67.58 13.37 14.67 28.17 90.95 -106.01 -58.66 -32.77 3.58 0.02 96.40 0.18 0.21 2.38 0.37 96.84 0.00 0.01 0.00 80 E H G 133.07 2.83 21.03 24.37 89.75 62.34 -70.71 -17.10 2.77 0.02 97.21 0.09 0.15 1.96 0.28 97.50 0.00 0.02 0.00 81 D H G 20.12 19.20 16.09 35.54 93.73 61.77 -87.08 -3.18 3.53 0.04 96.43 0.43 0.34 1.69 0.40 97.11 0.00 0.03 0.00 82 F C C 49.73 17.90 18.58 36.24 115.63 104.89 -77.11 135.10 89.43 9.91 0.66 84.69 4.81 0.26 0.11 0.53 0.00 8.98 0.62 83 A E E 19.27 15.07 22.76 37.57 141.52 154.92 -149.06 174.90 18.17 81.75 0.08 16.26 1.83 0.17 0.02 0.06 0.00 80.49 1.17 84 T E E 40.82 12.87 24.86 37.93 120.38 -82.49 -104.95 135.91 3.16 96.82 0.02 2.79 0.26 0.02 0.01 0.01 0.00 96.78 0.14 85 Y E E 8.97 24.62 19.31 43.98 125.62 -167.76 -117.95 141.14 1.31 98.66 0.02 1.14 0.09 0.01 0.01 0.01 0.00 98.66 0.08 86 Y E E 34.28 15.73 26.77 42.45 129.67 -167.23 -126.32 145.82 2.64 97.26 0.09 2.22 0.19 0.04 0.06 0.03 0.00 97.37 0.10 87 C E E 3.59 24.77 21.06 46.03 123.88 -156.31 -115.04 137.91 8.23 90.95 0.82 6.76 0.79 0.28 0.46 0.25 0.00 91.22 0.23 88 Q E E 34.05 14.50 24.92 39.45 126.43 -168.62 -121.66 140.55 7.57 91.28 1.14 6.43 0.71 0.28 0.64 0.38 0.00 91.14 0.43 89 Q E E 32.36 17.70 18.36 35.87 122.30 -153.77 -109.91 135.77 15.81 82.87 1.33 12.91 2.25 0.79 0.55 0.60 0.00 82.12 0.78 90 Y E E 90.47 10.35 17.84 29.02 114.76 -152.84 -104.14 125.86 40.20 58.26 1.54 29.19 9.18 2.88 0.49 0.93 0.01 56.17 1.16 91 K C C 95.60 8.59 13.79 23.39 121.70 151.88 -116.60 153.09 75.76 22.81 1.43 35.31 27.26 13.24 0.21 1.16 0.00 21.61 1.22 92 Y C S 168.56 2.93 15.03 18.75 102.19 -56.20 -87.26 -2.33 94.23 4.96 0.80 31.36 45.39 17.52 0.09 0.81 0.00 4.21 0.61 93 V C S 79.24 5.53 13.69 20.96 121.15 37.06 -112.38 135.95 90.05 9.47 0.48 29.55 51.94 8.27 0.06 0.49 0.00 8.77 0.90 94 P C C 71.16 8.44 16.11 25.50 113.81 -97.39 -68.85 145.49 75.18 24.53 0.30 56.65 13.25 2.76 0.04 0.28 0.00 26.39 0.63 95 V E E 40.26 16.65 14.54 31.09 119.92 -149.10 -104.64 135.42 37.48 62.34 0.17 33.85 2.26 0.41 0.04 0.11 0.00 62.52 0.81 96 T E E 57.30 10.33 21.78 32.37 125.58 -163.93 -121.39 139.30 11.88 88.02 0.11 10.77 0.80 0.14 0.05 0.05 0.00 85.89 2.31 97 F E E 45.27 19.64 16.04 34.79 116.82 -141.39 -97.47 131.99 22.21 77.45 0.33 18.71 2.78 0.82 0.11 0.22 0.00 75.08 2.28 98 G C C 23.23 12.31 18.74 31.08 119.91 -138.64 -79.18 -162.99 68.43 30.82 0.75 39.85 21.11 6.93 0.08 0.71 0.00 30.45 0.86 99 Q C C 121.43 4.67 21.68 26.70 102.19 -60.15 -78.40 16.76 72.78 26.33 0.89 36.21 27.98 8.26 0.08 0.93 0.00 25.70 0.84 100 G C C 19.15 17.31 15.55 31.70 125.92 -125.89 81.61 173.64 67.48 32.18 0.34 51.98 11.23 2.16 0.03 0.37 0.00 33.68 0.53 101 T E E 39.65 14.43 18.36 33.05 126.78 -108.23 -122.16 143.87 18.28 81.66 0.06 16.70 0.90 0.10 0.02 0.03 0.00 81.91 0.34 102 K E E 114.30 7.78 20.55 29.37 118.74 -140.81 -104.30 133.18 2.32 97.65 0.03 2.07 0.16 0.02 0.01 0.01 0.00 97.59 0.13 103 V E E 26.94 19.25 12.88 31.86 122.14 -166.41 -116.49 132.96 3.17 96.80 0.02 3.04 0.10 0.01 0.01 0.01 0.00 96.69 0.13 104 E E E 115.48 4.11 20.17 25.09 116.43 -149.95 -100.88 130.46 11.82 88.14 0.04 12.09 0.20 0.03 0.02 0.01 0.00 87.08 0.56 105 I C C 42.80 18.79 13.11 31.06 113.71 -153.30 -95.22 125.36 98.49 1.50 0.00 98.63 0.06 0.01 0.00 0.00 0.00 1.29 0.02