# 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 93.20 5.08 20.79 26.32 113.57 -140.67 -87.99 127.28 99.76 0.24 0.00 99.67 0.12 0.02 0.00 0.00 0.00 0.18 0.01 1 I C C 40.50 19.40 11.93 30.57 117.85 -153.48 -102.00 128.72 57.13 42.79 0.08 56.15 0.56 0.12 0.01 0.04 0.00 42.42 0.69 2 V E E 66.75 7.41 20.57 28.92 119.33 -164.52 -114.15 128.60 12.90 87.03 0.07 11.92 0.84 0.11 0.03 0.04 0.00 86.28 0.78 3 M E E 46.82 18.86 14.47 32.84 119.52 -157.66 -105.91 129.62 8.71 91.24 0.06 8.20 0.48 0.07 0.02 0.03 0.00 90.57 0.64 4 T E E 62.17 8.52 20.67 29.80 125.02 -172.01 -122.09 139.92 19.37 80.52 0.11 17.23 1.60 0.23 0.03 0.08 0.00 79.75 1.08 5 Q C E 68.72 14.60 15.52 29.97 125.39 -161.41 -121.07 138.46 52.09 47.73 0.17 39.06 12.35 0.86 0.03 0.17 0.00 46.40 1.13 6 T C C 73.19 8.41 18.09 27.43 121.13 -147.03 -108.41 137.52 82.84 17.04 0.13 51.68 29.80 1.14 0.02 0.13 0.00 16.46 0.77 7 P C C 58.83 9.04 16.87 26.84 115.11 21.48 -72.09 150.24 90.34 9.18 0.48 62.33 23.17 4.10 0.05 0.55 0.00 9.26 0.54 8 S C S 59.55 10.59 16.44 27.57 97.34 -147.42 -84.07 -21.57 76.29 23.22 0.49 33.04 39.27 3.31 0.04 0.53 0.00 23.10 0.70 9 S E E 55.00 7.60 20.42 29.07 135.92 19.40 -144.96 148.44 20.29 79.45 0.26 16.54 3.11 0.66 0.03 0.26 0.00 78.86 0.52 10 L E E 28.82 19.92 15.00 34.49 130.46 -173.00 -136.56 142.33 3.45 96.54 0.01 3.19 0.20 0.01 0.00 0.00 0.00 96.41 0.18 11 S E E 63.99 6.80 23.50 31.38 123.40 -156.63 -116.12 136.49 2.00 98.00 0.00 1.88 0.11 0.01 0.00 0.00 0.00 97.92 0.09 12 L E E 17.51 20.75 13.85 34.42 133.70 173.64 -138.29 152.50 10.85 89.14 0.01 10.44 0.42 0.02 0.00 0.01 0.00 88.04 1.08 13 S C C 52.43 4.82 23.28 27.82 121.73 -117.73 -82.68 158.24 94.16 5.81 0.03 93.44 0.96 0.09 0.00 0.02 0.00 5.08 0.42 14 P C T 61.20 13.62 14.36 28.13 109.72 -80.05 -59.58 135.70 99.36 0.27 0.37 0.24 2.63 96.68 0.02 0.26 0.00 0.14 0.04 15 G C T 48.10 3.80 19.40 23.89 95.87 22.63 88.78 -6.63 99.41 0.23 0.36 0.40 3.10 96.03 0.02 0.27 0.00 0.15 0.02 16 D C C 63.52 8.43 17.35 26.92 122.36 118.65 -84.05 151.99 90.86 8.89 0.25 73.14 17.27 0.53 0.04 0.23 0.00 7.88 0.91 17 R C C 123.61 9.55 18.46 29.22 125.35 -138.68 -113.85 143.35 50.36 49.61 0.03 49.71 0.72 0.06 0.00 0.02 0.00 48.62 0.86 18 A E E 11.05 20.73 15.70 36.32 131.44 -170.76 -132.06 148.27 2.25 97.75 0.00 2.14 0.06 0.00 0.00 0.00 0.00 97.70 0.10 19 T E E 65.58 8.76 24.50 33.78 121.23 -144.55 -114.31 131.91 0.78 99.22 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.23 0.02 20 L E E 6.83 25.03 17.01 42.34 123.30 -168.59 -117.52 134.42 2.83 97.17 0.00 2.50 0.16 0.01 0.00 0.00 0.00 97.29 0.04 21 S E E 35.76 10.58 26.38 37.40 126.75 -165.20 -118.02 143.75 9.50 90.49 0.01 8.51 0.44 0.03 0.00 0.01 0.00 90.91 0.09 22 C E E 5.80 24.82 17.30 42.24 131.35 -174.45 -134.74 146.88 10.73 89.24 0.02 9.52 0.75 0.05 0.00 0.02 0.00 89.42 0.23 23 R E E 108.25 7.50 26.71 34.95 120.34 -154.58 -111.92 132.05 7.19 92.76 0.05 6.59 0.46 0.06 0.02 0.03 0.00 91.34 1.50 24 A E E 10.43 23.48 14.00 36.93 124.36 -164.42 -106.83 146.38 40.71 58.93 0.35 37.75 2.13 0.37 0.13 0.22 0.00 56.80 2.61 25 S C C 44.46 7.61 19.84 28.06 119.91 -123.30 -84.22 162.07 76.94 21.93 1.13 60.61 12.79 2.91 0.22 0.98 0.00 20.58 1.90 26 E C T 126.94 5.93 16.19 23.23 96.25 -93.43 -68.97 -19.89 87.89 3.77 8.35 13.76 34.42 40.70 1.34 6.19 0.00 2.65 0.93 27 N C T 101.54 4.44 18.17 23.31 100.80 60.66 -84.86 -5.28 89.01 3.21 7.77 21.69 27.79 40.04 1.29 6.17 0.00 2.16 0.85 28 I C C 53.35 15.43 15.80 30.69 104.39 72.39 -89.08 14.45 81.34 10.42 8.25 41.54 25.20 15.21 1.98 6.26 0.02 6.15 3.64 29 I C C 44.03 16.53 17.27 33.34 120.93 110.83 -106.69 138.34 84.50 11.54 3.96 66.23 11.68 6.18 1.05 2.96 0.00 10.03 1.88 30 N C S 74.11 10.39 22.65 32.74 101.41 -165.74 -95.50 -18.31 83.46 14.84 1.70 33.13 44.82 5.52 0.36 1.21 0.00 14.08 0.88 31 Y E E 60.83 13.53 23.86 37.42 129.75 33.70 -134.58 144.06 33.53 65.47 1.00 25.01 6.97 2.07 0.19 0.76 0.00 64.18 0.82 32 L E E 4.28 25.76 20.22 46.20 127.11 -164.06 -122.00 139.91 8.10 91.86 0.04 7.37 0.57 0.05 0.01 0.02 0.00 91.75 0.22 33 A E E 9.13 18.58 27.39 45.68 130.47 -171.42 -128.21 147.43 1.11 98.88 0.00 1.02 0.04 0.00 0.00 0.00 0.00 98.91 0.02 34 W E E 8.59 24.37 23.32 47.47 125.33 -153.07 -114.13 139.84 0.54 99.45 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.01 35 Y E E 21.46 18.11 23.80 41.73 132.11 -174.02 -130.70 149.77 0.58 99.41 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.02 36 Q E E 38.16 14.98 21.77 36.94 121.34 -143.42 -110.52 134.44 2.76 97.24 0.00 2.31 0.21 0.01 0.00 0.00 0.00 97.38 0.08 37 Q E E 51.09 14.26 15.91 30.67 119.55 -150.32 -103.67 134.61 28.94 71.04 0.02 26.61 1.45 0.06 0.00 0.02 0.00 70.59 1.27 38 R C C 109.79 6.65 15.59 23.56 119.98 -142.08 -91.58 147.20 97.71 2.26 0.03 95.63 2.18 0.18 0.01 0.02 0.00 1.60 0.38 39 P C T 103.65 3.92 11.60 17.56 109.55 -86.05 -58.52 133.65 99.71 0.09 0.20 0.25 2.96 96.53 0.00 0.18 0.00 0.05 0.02 40 G C T 69.45 0.26 13.12 10.50 95.08 18.37 83.79 -3.22 99.74 0.06 0.20 0.33 2.95 96.47 0.00 0.19 0.00 0.04 0.01 41 Q C S 87.22 5.77 9.97 17.85 129.35 95.98 -115.51 159.09 93.06 6.67 0.27 39.19 52.95 1.10 0.06 0.22 0.00 2.30 4.18 42 S C C 75.52 2.25 17.81 19.95 117.33 -97.64 -70.33 153.71 96.85 3.12 0.03 84.67 12.11 0.23 0.01 0.03 0.00 2.57 0.37 43 P C C 45.30 17.68 12.02 29.07 114.75 -95.23 -65.22 144.03 91.32 8.65 0.03 88.49 2.50 0.15 0.00 0.02 0.00 8.57 0.25 44 R E E 97.11 9.28 21.29 31.17 126.48 -161.69 -124.41 140.11 7.48 92.48 0.03 6.69 0.59 0.05 0.01 0.02 0.00 92.06 0.58 45 L E E 56.44 16.25 18.64 34.45 110.66 -115.64 -75.46 126.36 0.89 99.11 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.11 0.05 46 L E E 20.70 18.79 21.23 39.91 101.53 175.71 -95.95 -34.90 2.98 97.00 0.02 2.01 0.82 0.03 0.00 0.00 0.00 97.10 0.02 47 I E E 17.40 19.54 22.13 41.41 135.74 6.60 -146.31 142.34 0.90 99.09 0.01 0.71 0.08 0.01 0.00 0.00 0.00 99.17 0.02 48 Y E E 48.45 18.69 20.17 37.96 130.06 -173.67 -135.08 138.32 5.34 94.58 0.07 4.64 0.42 0.07 0.03 0.03 0.00 94.54 0.27 49 D E E 32.33 12.57 20.88 34.20 116.70 -164.77 -111.36 122.02 40.26 58.79 0.95 33.77 5.30 1.23 0.33 0.62 0.00 57.51 1.24 50 A C T 42.65 14.72 15.65 30.39 93.88 -148.35 -66.81 -20.92 70.93 5.24 23.83 12.77 15.18 43.63 3.28 20.05 0.03 3.87 1.20 51 S C T 76.79 3.36 18.93 22.66 95.89 60.89 -81.59 -18.08 72.51 1.90 25.59 9.37 15.13 48.05 3.89 21.47 0.03 1.15 0.92 52 N C C 78.55 9.26 15.29 25.08 104.76 41.60 -107.60 45.54 65.81 6.75 27.44 24.19 21.90 22.22 5.34 19.92 0.09 3.72 2.61 53 R C C 116.10 11.05 14.89 26.25 109.81 151.83 -81.38 117.19 74.81 12.69 12.50 48.39 13.26 13.40 5.66 6.66 0.04 8.07 4.51 54 A C C 47.18 12.99 13.42 26.43 108.37 -149.17 -84.67 116.77 74.28 14.40 11.32 45.00 14.55 15.28 4.22 6.78 0.10 8.85 5.21 55 T C T 93.10 4.76 16.36 22.39 110.37 -148.55 -92.11 111.72 82.41 10.49 7.10 21.48 19.98 41.82 2.24 4.39 0.05 7.04 3.00 56 G C T 51.73 4.07 17.47 22.57 101.03 8.68 83.80 -0.31 91.04 6.48 2.49 21.39 29.53 40.68 0.38 2.09 0.00 4.79 1.13 57 I C C 43.34 17.13 11.62 28.53 117.53 114.10 -99.69 127.68 83.21 16.37 0.43 54.95 28.32 1.15 0.16 0.29 0.00 8.97 6.16 58 P C C 66.44 7.09 19.88 27.64 111.46 -115.47 -68.39 145.44 85.80 12.54 1.66 70.22 11.24 4.01 0.51 1.26 0.00 10.01 2.75 59 A C C 45.44 15.77 15.00 30.00 104.81 -122.77 -75.48 103.09 82.99 13.14 3.87 59.70 15.98 7.41 0.70 3.45 0.00 11.35 1.42 60 R C C 118.61 7.97 21.64 30.02 114.68 132.27 -112.44 118.98 66.42 30.43 3.15 47.42 14.94 4.54 0.72 2.25 0.01 28.45 1.67 61 F E E 35.05 22.34 13.50 34.89 124.53 133.25 -115.08 140.58 25.90 73.16 0.94 22.07 3.44 0.92 0.42 0.53 0.00 70.33 2.29 62 S E E 57.33 6.29 23.41 31.01 134.98 -175.31 -138.72 154.83 12.23 87.53 0.24 10.61 1.32 0.28 0.10 0.11 0.00 86.85 0.73 63 G E E 24.69 16.86 15.43 31.46 140.93 160.61 -156.61 169.16 10.49 89.38 0.13 8.63 1.55 0.28 0.04 0.08 0.00 88.76 0.66 64 S E E 66.98 4.79 20.85 27.42 134.35 -156.99 -144.72 156.80 16.02 83.85 0.13 13.89 1.81 0.32 0.03 0.09 0.00 83.00 0.87 65 G E E 31.76 10.27 15.23 26.36 138.32 133.19 100.62 -167.96 39.98 59.82 0.20 27.82 11.37 1.77 0.03 0.22 0.00 57.79 1.01 66 S C C 79.32 2.99 20.27 23.65 111.29 -110.31 -113.01 45.97 63.33 35.95 0.72 33.88 23.46 7.59 0.10 0.80 0.00 31.10 3.06 67 G C S 34.33 9.76 18.53 28.37 108.89 -47.39 68.21 -129.53 98.04 1.22 0.74 2.96 56.70 38.55 0.02 0.75 0.00 0.86 0.17 68 T C S 58.28 13.73 16.62 30.28 98.42 -10.06 -98.46 -3.30 97.74 1.70 0.57 3.02 57.35 37.55 0.02 0.57 0.00 1.33 0.17 69 D E E 60.44 8.78 22.06 31.97 118.79 84.39 -105.45 131.68 36.55 63.25 0.21 24.96 11.19 1.36 0.03 0.24 0.00 59.67 2.56 70 F E E 8.82 24.25 15.94 40.52 128.79 -175.47 -127.29 142.94 14.36 85.64 0.01 13.65 0.41 0.02 0.00 0.00 0.00 85.51 0.40 71 T E E 35.40 10.39 27.06 38.50 123.35 -159.57 -117.88 135.35 4.12 95.88 0.00 3.70 0.14 0.00 0.00 0.00 0.00 96.06 0.09 72 L E E 2.99 26.17 18.99 46.11 119.98 -163.29 -113.42 128.69 0.51 99.49 0.00 0.56 0.00 0.00 0.00 0.00 0.00 99.42 0.01 73 T E E 39.63 10.17 27.22 38.21 119.91 -164.56 -115.51 128.70 0.19 99.81 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 74 I E E 7.88 23.96 16.09 40.61 116.28 -163.85 -111.50 123.72 2.58 97.42 0.00 2.65 0.03 0.00 0.00 0.00 0.00 96.97 0.35 75 S C C 50.62 6.90 22.64 29.78 120.33 -166.59 -104.85 155.95 90.19 9.74 0.08 44.31 38.94 5.37 0.00 0.12 0.00 10.95 0.31 76 S C S 66.53 4.26 23.92 28.13 99.70 8.96 57.73 65.79 98.70 1.27 0.03 10.83 81.81 6.03 0.00 0.04 0.00 1.19 0.10 77 L C C 20.55 23.64 10.45 33.33 113.44 -152.52 -78.13 133.04 98.71 1.28 0.01 96.98 1.90 0.03 0.00 0.00 0.00 0.48 0.59 78 E C C 88.13 4.21 23.94 27.87 129.30 -173.91 -123.28 154.69 99.86 0.13 0.01 99.43 0.45 0.00 0.00 0.00 0.00 0.02 0.09 79 P H G 69.53 13.03 14.94 28.15 91.10 -106.10 -58.25 -32.37 3.34 0.01 96.65 0.15 0.18 2.28 0.47 96.91 0.00 0.01 0.00 80 E H G 122.11 4.41 21.07 26.30 90.14 62.88 -70.60 -16.21 2.51 0.02 97.47 0.07 0.12 1.82 0.35 97.63 0.00 0.01 0.00 81 D H G 18.25 19.72 16.77 36.75 94.34 60.42 -88.43 -1.93 3.27 0.03 96.70 0.35 0.30 1.67 0.45 97.21 0.00 0.03 0.00 82 F C C 42.31 18.10 20.49 38.39 115.80 103.94 -81.85 134.39 84.68 13.16 2.16 78.92 5.80 0.52 0.26 1.94 0.00 11.73 0.83 83 A E E 12.27 18.64 22.85 40.63 140.03 161.60 -146.86 169.23 19.26 80.57 0.17 17.00 2.12 0.24 0.04 0.12 0.00 79.34 1.14 84 V E E 33.25 15.31 25.61 40.82 119.41 -107.66 -106.60 131.92 2.55 97.41 0.03 2.43 0.17 0.02 0.01 0.02 0.00 97.23 0.13 85 Y E E 9.00 24.53 20.94 45.39 122.49 -164.73 -112.05 134.55 1.50 98.45 0.05 1.37 0.11 0.03 0.01 0.03 0.00 98.40 0.06 86 Y E E 34.55 16.54 26.87 43.10 128.06 -171.43 -124.68 143.47 3.66 96.24 0.09 3.22 0.25 0.05 0.02 0.05 0.00 96.28 0.14 87 C E E 4.36 24.60 20.97 45.61 123.71 -161.49 -117.05 136.94 13.23 86.41 0.36 11.47 1.19 0.26 0.12 0.17 0.00 86.30 0.50 88 Q E E 37.98 14.21 25.26 39.50 126.71 -172.01 -123.20 141.95 17.29 81.89 0.82 15.04 1.73 0.50 0.33 0.35 0.00 81.25 0.81 89 Q E E 38.42 18.28 18.74 36.48 118.87 -138.68 -101.23 134.31 26.88 71.78 1.34 22.20 4.00 1.23 0.48 0.68 0.00 70.55 0.86 90 R E E 84.91 11.34 18.71 30.55 118.07 -160.40 -108.07 132.25 38.04 60.39 1.57 30.25 6.43 1.96 0.51 0.95 0.00 58.45 1.45 91 I C E 73.57 10.32 14.94 26.22 114.37 -162.63 -104.42 122.49 54.22 44.48 1.30 36.74 14.08 4.42 0.28 0.98 0.00 41.87 1.63 92 I C C 96.29 6.38 14.72 22.27 110.69 -154.21 -99.07 102.06 74.83 24.36 0.81 37.67 29.92 7.88 0.11 0.75 0.00 22.32 1.35 93 W C S 122.15 7.84 11.83 21.22 120.80 57.79 -111.13 136.79 85.56 13.94 0.50 36.52 42.89 6.56 0.08 0.50 0.00 11.82 1.63 94 P C C 83.15 3.90 14.83 19.75 114.87 -31.04 -73.19 149.35 94.23 5.11 0.66 40.58 35.91 17.74 0.07 0.74 0.00 4.45 0.52 95 P C C 79.40 7.36 14.47 22.99 113.02 -87.47 -71.17 142.50 87.21 12.04 0.75 49.12 23.09 14.37 0.08 0.81 0.00 11.86 0.67 96 Y E E 77.16 14.25 13.71 28.22 120.21 -158.32 -109.03 136.38 46.34 53.15 0.50 38.86 5.26 1.49 0.10 0.42 0.00 52.31 1.55 97 T E E 66.21 9.45 19.66 29.77 122.81 -158.65 -115.41 136.01 21.83 77.88 0.29 19.06 2.18 0.46 0.12 0.18 0.00 75.51 2.50 98 F E E 53.85 18.15 14.97 32.43 119.43 -158.32 -105.19 135.47 26.34 73.19 0.46 21.87 3.66 1.00 0.21 0.32 0.00 68.97 3.96 99 G C C 25.49 10.31 18.19 28.95 123.87 -136.69 -84.97 170.83 70.85 28.38 0.76 43.24 20.69 6.80 0.11 0.73 0.00 27.23 1.19 100 Q C S 122.62 4.83 20.00 25.53 103.53 -64.23 -75.67 31.41 76.73 21.84 1.43 22.44 35.12 19.86 0.14 1.33 0.00 19.70 1.40 101 G C C 21.98 13.60 17.47 30.74 123.05 -78.20 99.96 -174.76 73.38 25.72 0.90 34.91 25.26 12.91 0.08 0.96 0.00 25.04 0.85 102 T E E 30.62 18.62 16.46 34.55 122.19 -90.81 -109.96 137.89 40.88 58.95 0.17 35.72 3.34 0.49 0.03 0.14 0.00 59.68 0.60 103 K E E 105.47 7.67 23.36 31.75 122.23 -156.72 -114.77 134.44 6.79 93.14 0.07 6.01 0.61 0.09 0.02 0.03 0.00 92.88 0.36 104 V E E 17.65 22.38 14.13 36.16 120.41 -163.79 -115.14 128.95 4.13 95.83 0.04 3.90 0.21 0.03 0.01 0.01 0.00 95.63 0.20 105 D E E 74.65 5.25 22.83 28.45 116.73 -161.17 -108.12 127.29 6.44 93.51 0.06 6.08 0.31 0.07 0.02 0.03 0.00 93.11 0.38 106 I E E 36.04 19.60 10.89 29.66 116.21 -158.02 -102.33 125.78 27.39 72.50 0.10 27.48 0.30 0.09 0.04 0.04 0.00 70.82 1.21 107 K C C 128.44 3.97 19.18 24.05 114.90 -164.46 -102.14 129.28 99.25 0.75 0.00 99.29 0.05 0.01 0.00 0.00 0.00 0.63 0.01