# 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 95.39 4.72 20.89 25.82 106.72 -142.91 -85.15 94.78 99.83 0.17 0.00 99.70 0.14 0.02 0.00 0.00 0.00 0.12 0.00 1 I C C 36.44 20.23 11.39 30.66 117.58 -159.29 -100.13 129.51 57.79 42.12 0.08 56.48 0.65 0.16 0.02 0.04 0.00 42.02 0.62 2 V E E 72.12 6.37 21.65 28.82 120.58 -167.09 -115.02 132.62 15.42 84.50 0.07 14.12 1.05 0.15 0.02 0.05 0.00 83.92 0.69 3 M E E 38.60 20.77 13.53 33.73 121.75 -160.55 -112.10 132.56 8.85 91.10 0.05 8.38 0.47 0.07 0.02 0.02 0.00 90.40 0.63 4 T E E 64.45 6.58 22.42 29.70 126.08 -172.80 -124.60 141.81 16.68 83.19 0.13 14.88 1.40 0.23 0.04 0.08 0.00 82.19 1.19 5 Q C E 57.18 17.67 12.57 29.50 122.81 -158.18 -116.47 135.79 50.26 49.37 0.38 38.99 9.59 1.39 0.07 0.34 0.00 48.53 1.09 6 S C C 70.83 4.87 18.94 24.54 99.43 -162.88 -88.46 -22.38 82.06 17.54 0.40 44.87 33.09 3.68 0.05 0.41 0.00 17.15 0.76 7 H C C 78.00 9.54 15.71 26.40 125.45 36.37 -122.22 141.24 86.56 12.90 0.54 63.64 19.03 3.06 0.07 0.57 0.00 12.89 0.75 8 K C S 119.62 8.71 17.00 26.66 98.45 -159.99 -85.21 -22.68 84.08 15.79 0.13 24.96 56.43 1.42 0.01 0.12 0.00 16.68 0.37 9 F E E 97.15 7.78 19.77 28.71 133.89 23.04 -141.11 145.18 14.17 85.74 0.09 11.50 2.19 0.21 0.01 0.08 0.00 85.67 0.33 10 M E E 31.34 19.28 15.36 34.37 131.65 -175.34 -136.83 145.90 1.89 98.10 0.01 1.72 0.10 0.01 0.00 0.00 0.00 98.05 0.12 11 S E E 61.97 7.54 23.03 31.57 123.95 -154.35 -117.27 139.38 2.69 97.31 0.00 2.43 0.16 0.01 0.00 0.00 0.00 97.30 0.11 12 T E E 17.09 18.80 15.14 34.05 138.76 166.74 -146.72 161.34 19.54 80.44 0.02 17.87 0.93 0.05 0.01 0.02 0.00 80.76 0.36 13 S E E 53.22 5.18 23.64 28.66 123.66 -109.92 -90.51 159.90 45.70 54.09 0.21 39.97 4.62 0.54 0.09 0.17 0.00 48.04 6.58 14 V C T 61.14 15.12 14.38 29.37 109.29 -82.53 -60.31 134.58 98.51 0.95 0.54 0.60 4.49 93.78 0.03 0.40 0.00 0.56 0.15 15 G C T 44.94 4.48 19.95 25.20 96.21 23.42 89.69 -6.32 99.30 0.34 0.36 0.91 5.10 93.36 0.02 0.33 0.00 0.23 0.05 16 D C C 60.23 9.03 17.12 27.37 120.83 121.56 -77.83 150.23 95.57 4.25 0.19 69.39 25.96 0.57 0.03 0.17 0.00 3.32 0.57 17 R C C 131.77 7.79 19.29 28.36 119.26 -123.83 -94.41 137.30 70.81 29.17 0.01 71.04 0.56 0.03 0.00 0.01 0.00 27.65 0.70 18 V E E 12.87 22.03 14.50 36.46 128.61 -171.42 -128.17 144.58 1.41 98.59 0.00 1.43 0.02 0.00 0.00 0.00 0.00 98.43 0.12 19 S E E 53.78 7.95 24.68 33.12 121.18 -148.04 -111.61 134.08 0.47 99.53 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 20 I E E 6.23 25.21 15.95 41.74 121.88 -167.55 -118.88 131.80 2.14 97.86 0.00 1.98 0.06 0.00 0.00 0.00 0.00 97.93 0.02 21 T E E 48.89 8.70 26.52 35.84 120.91 -162.87 -112.49 132.94 8.62 91.37 0.00 7.72 0.32 0.01 0.00 0.00 0.00 91.89 0.06 22 C E E 4.88 25.26 15.97 41.61 127.48 -171.08 -126.53 140.57 8.87 91.13 0.01 7.97 0.39 0.01 0.00 0.00 0.00 91.51 0.11 23 K E E 98.77 6.64 26.89 34.33 121.90 -161.76 -114.92 133.11 4.89 95.09 0.02 4.55 0.25 0.02 0.01 0.01 0.00 94.39 0.77 24 A E E 10.27 23.54 13.74 36.69 125.22 -169.85 -112.61 147.02 31.88 67.96 0.16 30.27 1.44 0.21 0.05 0.10 0.00 65.64 2.28 25 S C C 50.47 7.45 20.26 28.16 116.96 -135.51 -88.53 156.28 74.20 25.19 0.61 56.91 14.25 2.33 0.10 0.61 0.00 24.30 1.49 26 Q C S 107.27 6.42 16.68 23.94 104.16 -88.77 -85.81 22.93 90.54 7.44 2.02 16.32 46.28 28.38 0.18 1.87 0.00 6.03 0.94 27 D C C 104.34 3.73 18.53 23.01 103.11 35.95 -86.49 68.66 93.69 4.62 1.69 40.72 26.57 26.47 0.17 1.81 0.00 3.51 0.74 28 V C C 40.22 17.15 12.97 29.58 116.25 149.07 -98.30 132.59 88.46 9.35 2.19 51.61 24.18 12.74 0.40 2.12 0.00 6.25 2.69 29 S C C 56.61 8.24 21.19 29.62 113.33 -152.83 -88.72 128.37 90.59 8.47 0.94 58.15 21.26 10.95 0.12 1.04 0.00 7.43 1.04 30 T C C 41.36 16.30 18.27 33.82 112.47 -150.17 -105.35 100.39 80.30 19.13 0.56 43.45 33.72 2.93 0.07 0.53 0.00 18.43 0.86 31 A E E 32.60 12.14 24.60 37.00 120.95 34.30 -105.94 138.25 32.07 67.71 0.21 27.28 3.59 0.51 0.03 0.17 0.00 67.76 0.66 32 V E E 3.35 26.19 19.25 46.00 124.87 -163.98 -118.60 135.64 5.41 94.57 0.01 5.05 0.28 0.02 0.00 0.00 0.00 94.51 0.14 33 A E E 12.32 16.81 27.66 44.49 129.92 -171.57 -125.48 145.81 0.70 99.29 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.30 0.01 34 W E E 8.03 24.86 22.52 47.32 125.20 -155.64 -114.77 138.95 0.42 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.00 35 Y E E 24.98 16.94 24.33 41.21 132.55 -174.40 -131.07 150.44 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 36 Q E E 37.02 15.59 21.48 37.17 123.42 -148.90 -116.57 137.25 1.90 98.10 0.00 1.58 0.13 0.01 0.00 0.00 0.00 98.22 0.06 37 Q E E 50.33 13.83 15.95 30.48 119.21 -149.86 -103.78 134.28 23.30 76.68 0.01 21.38 1.20 0.05 0.00 0.01 0.00 76.15 1.21 38 K C C 94.85 6.53 15.35 23.24 119.96 -140.58 -88.85 147.58 97.65 2.32 0.02 96.14 1.68 0.14 0.00 0.02 0.00 1.70 0.32 39 P C T 103.56 3.93 11.36 17.31 109.53 -85.48 -58.42 134.60 99.71 0.09 0.20 0.29 3.20 96.24 0.00 0.19 0.00 0.05 0.02 40 G C T 69.99 0.21 12.72 9.87 95.29 17.72 83.34 -2.68 99.73 0.06 0.21 0.40 3.13 96.20 0.00 0.22 0.00 0.04 0.01 41 Q C S 91.80 5.00 9.54 16.75 129.17 96.84 -114.50 160.17 95.40 4.30 0.30 35.68 58.81 1.09 0.05 0.26 0.00 1.54 2.56 42 S C C 83.13 1.56 16.85 17.92 116.54 -96.89 -71.28 151.02 97.89 2.08 0.02 87.11 10.75 0.19 0.00 0.02 0.00 1.61 0.31 43 P C C 50.81 16.79 11.00 27.11 115.27 -99.32 -65.94 144.61 91.16 8.81 0.03 88.94 2.15 0.16 0.00 0.02 0.00 8.39 0.33 44 K E E 91.46 8.41 20.72 29.83 124.01 -158.07 -119.36 139.81 11.57 88.36 0.06 10.17 1.24 0.11 0.02 0.04 0.00 87.61 0.81 45 L E E 60.23 15.15 19.09 33.94 111.34 -115.49 -74.39 130.00 1.53 98.46 0.01 1.42 0.06 0.01 0.00 0.00 0.00 98.45 0.06 46 L E E 14.55 20.30 20.85 41.09 101.70 176.93 -95.78 -34.88 4.52 95.46 0.02 2.90 1.37 0.05 0.00 0.01 0.00 95.63 0.03 47 I E E 10.31 21.33 21.67 42.94 135.09 5.75 -146.49 141.67 0.48 99.51 0.01 0.39 0.04 0.00 0.00 0.00 0.00 99.55 0.01 48 Y E E 41.77 16.93 22.48 39.02 125.68 -170.06 -126.98 134.43 1.02 98.96 0.02 0.85 0.06 0.01 0.01 0.00 0.00 99.03 0.04 49 W E E 53.45 15.32 20.13 35.55 118.53 -167.20 -117.97 128.35 11.40 88.34 0.26 8.53 1.95 0.66 0.06 0.17 0.00 88.29 0.34 50 A C E 34.36 13.10 17.44 30.81 111.29 -162.57 -90.65 130.45 59.06 36.79 4.16 17.47 13.48 28.98 0.50 3.43 0.01 35.14 0.98 51 S C T 67.58 6.84 17.83 24.96 100.53 -10.22 -79.11 -24.41 90.56 4.51 4.93 20.32 18.13 51.93 0.67 4.30 0.00 4.03 0.62 52 T C T 76.94 6.72 16.64 24.08 113.33 19.33 -116.17 105.43 82.13 12.96 4.91 22.19 19.69 40.60 0.75 3.96 0.01 11.69 1.11 53 R E E 125.40 7.86 16.19 25.09 121.17 37.40 -109.74 136.05 36.39 62.20 1.41 22.03 9.23 6.87 0.42 1.03 0.00 58.29 2.12 54 H E E 81.15 14.20 14.64 28.53 120.84 -162.95 -111.66 133.39 25.59 73.46 0.95 19.06 5.17 2.38 0.33 0.62 0.00 70.63 1.82 55 T E E 69.05 8.90 18.93 28.54 120.11 -171.63 -119.06 139.81 33.47 65.69 0.83 25.50 6.27 2.64 0.27 0.57 0.00 63.27 1.49 56 G C E 28.17 12.00 18.39 30.31 123.49 49.86 117.48 11.42 56.40 43.08 0.52 36.80 17.39 3.63 0.12 0.46 0.00 39.74 1.85 57 V C C 40.40 16.35 14.71 30.90 114.23 -61.15 -105.30 118.27 81.23 18.37 0.40 65.66 13.77 1.48 0.11 0.34 0.00 16.30 2.34 58 P C T 77.17 8.00 16.04 25.21 111.87 -114.24 -63.94 142.36 84.24 9.80 5.96 27.43 15.24 42.05 0.68 5.42 0.01 7.84 1.33 59 G C T 59.48 2.27 18.81 21.09 96.51 10.07 75.34 -0.52 86.89 4.55 8.56 15.91 19.88 51.31 0.83 7.84 0.00 3.36 0.85 60 R C S 83.31 13.40 16.70 29.85 99.68 75.99 -91.73 -17.76 81.87 10.18 7.95 25.28 34.13 23.15 0.80 7.21 0.01 8.36 1.08 61 F E E 16.83 23.39 12.91 35.96 128.89 41.67 -128.29 140.70 29.16 68.81 2.03 20.92 7.19 2.90 0.56 1.38 0.00 65.49 1.55 62 T E E 70.40 6.06 23.94 31.07 131.75 -174.54 -133.86 148.80 7.51 92.37 0.12 6.45 0.90 0.14 0.05 0.05 0.00 91.70 0.71 63 G E E 23.49 18.65 15.22 32.52 140.54 156.67 -155.63 166.75 6.40 93.56 0.05 5.48 0.69 0.11 0.01 0.02 0.00 93.36 0.34 64 S E E 63.42 5.06 21.65 28.35 135.65 -165.85 -146.30 156.51 15.18 84.76 0.06 13.21 1.50 0.21 0.01 0.04 0.00 84.58 0.46 65 G E E 30.58 10.46 15.80 27.15 139.13 132.34 105.29 168.31 37.81 62.06 0.13 28.36 8.71 1.08 0.02 0.13 0.00 60.66 1.04 66 S C C 76.62 3.27 20.65 24.53 120.81 -102.09 -124.74 131.32 64.25 35.31 0.43 46.22 15.68 3.15 0.08 0.48 0.00 31.06 3.33 67 G C S 33.55 9.96 19.03 29.11 110.28 -44.95 66.80 -132.88 97.84 1.32 0.85 3.05 59.77 35.17 0.03 0.85 0.00 0.94 0.18 68 T C S 53.99 14.40 16.70 31.09 97.91 -9.79 -97.44 -2.53 97.83 1.41 0.76 2.70 59.52 35.81 0.03 0.72 0.00 1.06 0.16 69 D E E 59.81 9.14 22.47 32.68 120.00 83.42 -109.09 129.74 41.19 58.42 0.39 24.61 15.58 2.59 0.04 0.47 0.00 53.85 2.85 70 Y E E 9.09 24.54 16.30 41.20 128.28 -174.66 -127.33 141.78 18.35 81.64 0.01 17.12 0.67 0.04 0.00 0.01 0.00 81.74 0.43 71 T E E 35.41 10.37 27.34 38.80 122.38 -160.24 -117.61 133.57 4.31 95.69 0.00 3.84 0.17 0.00 0.00 0.00 0.00 95.92 0.07 72 L E E 2.83 26.32 19.05 46.31 119.92 -163.14 -113.26 128.25 0.32 99.68 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.65 0.00 73 T E E 38.91 10.03 27.46 38.44 119.61 -163.60 -114.75 128.01 0.10 99.90 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 74 I E E 6.82 24.36 16.43 41.46 116.79 -165.31 -112.22 123.57 1.87 98.13 0.00 1.95 0.02 0.00 0.00 0.00 0.00 97.75 0.28 75 S C C 47.05 7.30 22.91 30.47 125.44 -167.04 -110.79 155.42 92.43 7.53 0.04 48.03 40.32 2.72 0.00 0.06 0.00 8.67 0.20 76 S C S 70.16 3.83 24.08 27.84 97.02 10.91 57.76 59.96 99.00 0.98 0.02 6.01 89.55 3.52 0.00 0.02 0.00 0.83 0.07 77 V C C 15.63 24.10 10.09 33.63 114.03 -151.63 -76.12 133.29 99.19 0.80 0.01 98.04 1.32 0.02 0.00 0.00 0.00 0.32 0.29 78 Q C C 81.34 4.13 24.12 27.96 131.94 -173.96 -127.57 159.90 99.29 0.68 0.03 99.22 0.22 0.01 0.01 0.01 0.00 0.09 0.44 79 A H G 59.97 11.87 15.13 27.34 90.96 -102.86 -58.39 -33.39 2.46 0.02 97.52 0.14 0.16 1.52 0.28 97.88 0.00 0.01 0.00 80 E H G 130.14 3.10 21.34 24.99 89.69 62.91 -69.82 -17.52 2.06 0.02 97.91 0.07 0.11 1.39 0.19 98.21 0.00 0.02 0.00 81 D H G 11.93 21.27 15.74 37.53 93.47 60.63 -87.09 -4.29 2.92 0.03 97.05 0.30 0.25 1.37 0.25 97.79 0.00 0.02 0.00 82 L C C 42.13 16.78 19.86 36.78 115.40 110.63 -72.26 134.70 96.33 3.59 0.07 93.40 3.10 0.07 0.01 0.06 0.00 3.19 0.17 83 S E E 15.76 15.91 22.98 38.75 144.91 138.53 -167.57 162.94 5.52 94.47 0.00 5.17 0.31 0.01 0.00 0.00 0.00 94.03 0.48 84 L E E 51.48 12.33 25.75 38.47 118.07 -74.58 -99.96 133.70 0.55 99.45 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.45 0.02 85 Y E E 6.23 25.71 19.25 45.35 123.81 -164.55 -114.60 136.84 0.38 99.62 0.00 0.33 0.02 0.00 0.00 0.00 0.00 99.65 0.01 86 Y E E 32.34 15.86 27.67 43.58 131.01 -172.38 -127.55 148.79 1.29 98.71 0.01 1.11 0.08 0.01 0.00 0.00 0.00 98.75 0.04 87 C E E 2.46 25.97 21.33 47.67 124.91 -153.22 -118.54 139.00 5.71 94.25 0.04 4.91 0.53 0.05 0.01 0.03 0.00 94.30 0.17 88 Q E E 32.40 14.76 26.56 41.36 127.87 -171.16 -125.28 143.24 5.62 94.33 0.06 5.01 0.42 0.06 0.01 0.03 0.00 94.22 0.24 89 Q E E 23.55 20.11 19.26 38.94 122.02 -153.97 -111.39 134.21 11.26 88.62 0.13 9.38 1.59 0.26 0.03 0.07 0.00 88.28 0.39 90 H E E 62.93 11.41 19.23 31.38 118.44 -162.58 -111.89 130.98 25.06 74.70 0.23 20.26 4.23 0.84 0.05 0.19 0.00 73.31 1.13 91 Y C C 102.22 10.09 14.16 25.14 110.78 -175.54 -108.53 86.72 57.32 42.21 0.47 41.62 13.01 2.95 0.08 0.45 0.00 40.48 1.41 92 S C S 75.19 3.59 14.71 19.26 113.65 -17.83 -103.08 134.91 91.81 7.45 0.75 21.58 51.73 18.41 0.07 0.76 0.00 6.70 0.74 93 T C S 94.30 2.95 13.50 17.74 118.83 -13.06 -105.80 134.30 95.36 3.74 0.90 19.95 56.74 18.77 0.09 0.90 0.00 2.93 0.63 94 P C C 81.49 4.48 14.96 20.59 115.52 18.83 -73.73 148.76 85.06 13.98 0.97 42.04 31.27 11.46 0.12 0.98 0.00 13.24 0.89 95 R C C 94.73 13.74 13.46 27.28 115.48 -122.51 -84.64 135.26 55.75 43.69 0.56 46.51 5.59 2.02 0.10 0.47 0.00 44.21 1.10 96 T E E 52.77 11.28 19.33 31.16 123.93 -164.30 -118.74 139.53 21.65 78.09 0.27 18.62 2.13 0.49 0.10 0.17 0.00 74.94 3.54 97 F E E 65.78 17.17 17.32 33.71 117.79 -140.81 -98.15 133.46 22.44 77.28 0.27 18.23 3.26 0.82 0.10 0.20 0.00 73.49 3.90 98 G C E 22.26 14.36 19.70 33.37 119.99 -158.33 -91.37 -173.80 56.88 42.86 0.26 41.11 12.76 2.56 0.05 0.24 0.00 42.22 1.07 99 G C C 36.05 9.76 22.27 31.54 110.31 -88.40 -87.73 64.00 70.01 29.81 0.17 55.87 11.04 1.42 0.02 0.17 0.00 30.87 0.61 100 G C C 17.68 17.61 17.23 33.66 128.69 -143.91 105.53 174.32 59.03 40.88 0.09 51.62 4.89 0.41 0.01 0.08 0.00 42.50 0.49 101 T E E 33.61 15.65 19.95 35.53 128.88 -113.09 -124.22 145.33 9.45 90.53 0.02 8.68 0.38 0.02 0.00 0.00 0.00 90.68 0.22 102 K E E 100.49 10.16 22.57 32.95 120.38 -141.68 -102.39 134.66 1.05 98.94 0.00 0.91 0.06 0.00 0.00 0.00 0.00 99.00 0.03 103 L E E 14.42 22.36 15.16 37.37 121.60 -163.95 -116.34 132.94 0.79 99.21 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.21 0.02 104 E E E 94.51 5.88 23.52 29.78 118.55 -155.04 -105.81 130.06 1.67 98.32 0.01 1.65 0.04 0.01 0.00 0.00 0.00 98.23 0.07 105 I E E 28.21 20.39 11.17 30.85 115.23 -155.00 -99.96 126.42 14.43 85.52 0.05 14.75 0.21 0.03 0.02 0.02 0.00 84.24 0.72 106 K C C 129.04 4.01 19.42 24.24 113.81 -156.42 -97.34 127.11 99.40 0.59 0.00 99.45 0.05 0.01 0.00 0.00 0.00 0.48 0.01