# 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 E C C 113.56 5.84 21.17 27.61 114.62 -138.00 -90.08 129.16 99.54 0.45 0.00 99.47 0.12 0.02 0.00 0.00 0.00 0.38 0.01 1 I E E 34.76 19.92 12.92 32.24 118.34 -153.17 -104.34 128.92 48.11 51.79 0.09 47.32 0.53 0.15 0.02 0.05 0.00 51.30 0.63 2 V E E 61.52 8.18 21.36 30.40 119.42 -164.93 -114.34 128.88 10.57 89.31 0.12 9.57 0.88 0.21 0.03 0.09 0.00 88.67 0.55 3 L E E 34.04 19.94 14.44 33.93 117.63 -154.15 -101.40 127.78 7.44 92.48 0.08 6.77 0.53 0.12 0.02 0.05 0.00 92.03 0.47 4 T E E 64.92 8.14 20.94 29.66 119.76 -171.70 -115.57 134.20 16.65 83.17 0.18 14.55 1.62 0.33 0.04 0.12 0.00 82.56 0.78 5 Q E E 68.11 13.90 15.62 29.48 126.52 -165.25 -124.14 140.72 45.87 53.88 0.26 35.93 8.97 0.93 0.05 0.23 0.00 52.87 1.01 6 S C C 58.07 8.14 18.12 27.07 119.91 -131.51 -97.19 145.64 81.64 18.22 0.14 57.60 21.96 1.25 0.02 0.15 0.00 18.22 0.80 7 P C S 72.53 8.54 16.98 26.14 111.46 -53.08 -68.75 147.57 88.05 11.65 0.30 26.57 48.64 11.58 0.02 0.38 0.00 12.36 0.45 8 G E E 33.13 9.82 17.80 27.80 112.65 57.55 -18.90 -134.91 48.38 51.32 0.30 21.85 20.59 6.20 0.02 0.36 0.00 50.43 0.56 9 T E E 74.02 8.13 19.33 28.37 128.79 -15.90 -128.46 140.57 18.41 81.55 0.05 16.58 1.25 0.11 0.01 0.04 0.00 81.66 0.35 10 L E E 26.50 19.78 14.85 34.29 126.63 -171.07 -127.34 138.61 2.32 97.68 0.00 2.15 0.10 0.00 0.00 0.00 0.00 97.63 0.11 11 S E E 65.03 6.65 23.33 31.06 122.54 -156.75 -114.80 134.32 1.76 98.24 0.00 1.59 0.09 0.00 0.00 0.00 0.00 98.26 0.06 12 L E E 18.19 20.70 13.80 34.25 133.58 172.15 -136.60 152.29 13.69 86.30 0.01 13.12 0.48 0.02 0.00 0.01 0.00 85.45 0.93 13 S C C 53.45 4.75 23.33 27.79 121.91 -122.24 -85.89 156.94 94.04 5.93 0.03 92.97 1.25 0.10 0.01 0.01 0.00 5.24 0.42 14 P C T 62.07 13.43 14.41 28.03 109.46 -80.99 -59.66 135.71 99.09 0.38 0.53 0.30 2.71 96.32 0.03 0.36 0.00 0.20 0.07 15 G C T 46.77 4.26 19.32 24.37 95.93 23.33 88.48 -6.58 99.20 0.28 0.52 0.51 3.10 95.75 0.04 0.38 0.00 0.19 0.03 16 E C C 82.66 8.36 17.71 27.19 121.83 118.59 -84.68 150.08 91.08 8.56 0.36 72.81 17.60 0.67 0.06 0.32 0.00 7.66 0.88 17 R E E 124.51 9.51 18.71 29.35 124.00 -138.79 -110.98 141.85 47.54 52.41 0.05 46.34 0.88 0.08 0.01 0.04 0.00 51.63 1.04 18 A E E 9.76 21.14 15.67 36.78 131.22 -170.65 -131.91 147.89 2.64 97.35 0.01 2.49 0.09 0.01 0.00 0.00 0.00 97.28 0.12 19 T E E 65.78 8.64 24.64 33.84 121.70 -145.82 -114.55 132.66 1.19 98.81 0.00 1.08 0.05 0.00 0.00 0.00 0.00 98.83 0.03 20 L E E 6.04 25.15 16.93 42.54 123.06 -168.12 -117.72 133.18 5.34 94.65 0.01 4.85 0.29 0.02 0.00 0.00 0.00 94.76 0.08 21 S E E 36.60 10.00 26.57 37.07 125.13 -163.51 -114.95 143.11 13.61 86.38 0.01 12.22 0.66 0.03 0.00 0.01 0.00 86.97 0.12 22 C E E 4.71 25.17 16.74 42.27 133.10 -176.58 -136.17 149.38 11.95 88.04 0.02 11.10 0.49 0.03 0.00 0.01 0.00 88.05 0.31 23 R E E 110.91 6.62 26.55 33.95 121.43 -154.82 -113.94 133.49 4.43 95.55 0.02 4.12 0.20 0.02 0.01 0.01 0.00 93.21 2.44 24 A E E 8.56 24.01 11.55 35.20 121.07 -148.88 -96.07 144.03 33.52 66.31 0.17 32.28 1.22 0.17 0.05 0.12 0.00 64.18 1.99 25 S C S 75.99 3.19 21.53 24.84 97.56 -154.22 -86.45 -17.78 89.03 10.75 0.22 21.91 63.80 2.39 0.02 0.21 0.00 11.31 0.37 26 Q C S 87.97 4.56 20.75 25.78 135.77 21.51 -139.17 160.19 90.05 9.68 0.27 9.96 76.59 3.14 0.02 0.23 0.00 9.61 0.45 27 T C C 84.56 6.96 19.67 27.62 114.59 -95.45 -73.80 139.69 88.12 11.35 0.52 81.57 4.77 1.39 0.06 0.57 0.00 10.67 0.96 28 V C C 14.87 22.57 11.80 34.06 122.97 -159.57 -114.87 134.55 63.78 35.67 0.55 58.68 3.50 0.83 0.23 0.37 0.00 20.26 16.12 29 S C C 76.81 3.60 23.42 27.27 103.24 -155.61 -96.75 24.67 84.92 14.56 0.53 63.15 18.33 3.21 0.11 0.54 0.00 12.32 2.35 30 S C S 30.70 15.31 16.57 31.64 131.58 90.77 -119.74 161.72 87.48 10.61 1.90 27.25 49.42 11.00 0.18 1.85 0.00 9.02 1.28 31 T C S 70.45 10.16 21.69 31.83 98.32 -132.75 -85.30 -11.90 87.07 11.92 1.01 14.37 62.08 9.69 0.06 0.93 0.00 12.24 0.63 32 S E E 23.64 14.59 23.34 38.06 129.41 46.66 -130.48 142.44 31.93 66.99 1.09 22.27 7.27 3.16 0.10 1.00 0.00 65.63 0.57 33 L E E 3.99 25.80 19.99 46.02 129.64 -172.92 -130.61 143.40 4.74 95.24 0.02 4.32 0.30 0.03 0.00 0.01 0.00 95.16 0.18 34 A E E 12.17 17.64 27.79 45.25 129.58 -166.82 -126.39 144.84 0.94 99.06 0.00 0.87 0.03 0.00 0.00 0.00 0.00 99.07 0.02 35 W E E 8.15 24.58 22.79 47.19 124.60 -156.12 -113.77 139.59 0.82 99.18 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.22 0.01 36 Y E E 24.54 17.34 23.79 41.08 132.79 -174.09 -131.99 150.98 0.91 99.09 0.00 0.79 0.04 0.00 0.00 0.00 0.00 99.13 0.04 37 Q E E 42.25 14.66 21.35 36.18 123.65 -148.35 -112.07 136.41 3.43 96.56 0.01 2.87 0.30 0.02 0.00 0.00 0.00 96.69 0.12 38 Q E E 54.78 13.81 15.64 29.99 119.59 -151.94 -105.20 136.37 29.68 70.29 0.03 26.64 2.14 0.10 0.00 0.02 0.00 69.91 1.19 39 K C C 98.18 6.38 15.33 23.07 119.37 -141.97 -95.02 146.13 97.51 2.45 0.04 94.99 2.49 0.25 0.01 0.03 0.00 1.82 0.41 40 P C T 106.36 3.48 11.48 16.96 109.35 -85.38 -58.54 134.01 99.56 0.11 0.33 0.44 3.79 95.35 0.01 0.33 0.00 0.06 0.03 41 G C T 69.25 0.28 12.94 10.50 95.17 18.10 83.31 -2.86 99.59 0.07 0.33 0.55 3.71 95.31 0.01 0.36 0.00 0.05 0.01 42 Q C S 89.75 5.54 10.04 17.69 129.30 96.35 -114.65 159.09 93.35 6.13 0.52 35.62 55.96 1.83 0.10 0.44 0.00 2.20 3.84 43 A C C 75.17 2.39 17.68 20.03 116.97 -98.79 -70.81 150.67 97.01 2.95 0.04 83.86 13.14 0.22 0.01 0.03 0.00 2.36 0.37 44 P C C 44.25 17.93 11.83 29.13 114.77 -99.75 -65.71 144.04 90.55 9.41 0.04 88.17 2.19 0.15 0.00 0.03 0.00 9.18 0.27 45 R E E 99.17 9.09 21.56 31.25 124.98 -160.84 -121.17 138.74 8.04 91.90 0.07 7.15 0.76 0.08 0.02 0.03 0.00 91.25 0.71 46 L E E 56.36 16.59 19.01 35.02 110.91 -116.38 -75.93 126.71 1.25 98.74 0.01 1.13 0.05 0.01 0.01 0.00 0.00 98.75 0.05 47 L E E 18.38 19.50 21.90 41.12 101.45 175.98 -96.04 -33.34 2.70 97.26 0.04 1.86 0.67 0.04 0.01 0.01 0.00 97.38 0.03 48 I E E 10.19 21.85 22.42 43.94 135.23 5.57 -146.58 142.15 0.88 99.10 0.02 0.70 0.08 0.01 0.01 0.00 0.00 99.17 0.03 49 Y E E 53.86 17.83 23.26 39.88 130.05 -173.48 -133.56 141.00 6.35 93.54 0.11 5.27 0.68 0.13 0.04 0.04 0.00 93.61 0.23 50 G E E 12.60 17.06 21.48 37.78 128.92 141.61 -146.47 168.61 45.76 53.27 0.97 28.81 13.64 4.34 0.21 0.75 0.00 51.40 0.84 51 A C C 37.46 13.53 19.21 32.60 110.06 -106.60 -88.90 129.08 70.94 22.89 6.17 27.97 25.34 19.72 1.28 4.42 0.04 19.03 2.20 52 S C T 60.49 9.48 17.98 27.40 101.81 -77.86 -82.69 -13.45 82.14 6.82 11.04 21.24 29.53 32.68 2.19 7.96 0.03 4.56 1.81 53 S C T 68.76 6.84 17.59 24.98 102.45 37.20 -87.98 10.20 77.08 8.45 14.47 21.73 28.66 28.75 3.18 9.81 0.06 5.57 2.23 54 R C C 126.85 7.97 17.02 25.67 108.40 50.98 -97.39 73.33 64.44 23.29 12.27 33.61 17.26 15.62 4.00 7.70 0.14 16.86 4.82 55 A C C 41.63 15.95 12.93 28.15 112.62 -140.37 -87.96 122.82 66.00 25.26 8.73 44.43 12.52 9.42 3.12 5.71 0.03 19.84 4.93 56 T C C 86.51 5.55 18.63 25.27 115.85 -170.02 -103.33 132.09 70.32 23.78 5.90 36.59 17.05 18.53 1.82 3.86 0.05 18.66 3.43 57 G C C 38.85 7.25 19.08 27.03 111.50 8.46 95.75 1.40 80.72 16.80 2.48 38.77 26.68 16.60 0.47 2.17 0.01 12.45 2.86 58 I C C 34.38 20.77 12.26 31.89 116.13 37.53 -95.94 129.12 88.83 10.76 0.41 71.62 16.40 0.98 0.15 0.29 0.00 7.31 3.25 59 P C C 51.72 10.27 16.38 27.69 113.25 -114.86 -67.27 152.03 88.56 5.70 5.75 69.85 7.94 10.10 0.97 5.39 0.00 4.43 1.32 60 D C T 118.62 2.65 18.18 21.66 94.44 -107.69 -67.46 -19.11 81.56 3.68 14.76 14.19 24.31 43.38 1.27 13.43 0.01 2.52 0.90 61 R C T 106.16 10.35 17.78 28.28 96.85 61.38 -88.28 -6.35 72.67 12.17 15.17 16.09 21.53 36.34 1.30 13.13 0.03 10.43 1.15 62 F E E 22.46 23.22 12.85 35.22 119.83 76.56 -108.06 130.28 23.70 71.01 5.30 17.66 5.47 2.90 1.42 3.25 0.01 67.58 1.71 63 S E E 53.27 7.25 23.54 31.80 133.08 160.17 -133.95 153.42 10.26 89.46 0.29 8.72 1.41 0.32 0.14 0.14 0.00 88.27 1.00 64 G E E 21.27 18.85 15.25 32.85 140.74 164.32 -152.82 168.53 10.91 88.98 0.12 9.25 1.38 0.27 0.04 0.07 0.00 88.50 0.49 65 S E E 65.88 4.67 22.33 28.55 135.55 -166.24 -146.72 155.26 19.68 80.19 0.13 16.81 2.36 0.40 0.03 0.10 0.00 79.65 0.65 66 G E E 28.81 12.57 14.98 27.82 139.06 139.65 94.83 164.72 40.25 59.54 0.21 29.59 9.69 1.52 0.03 0.22 0.00 57.67 1.27 67 S C E 76.48 3.29 20.96 24.85 119.28 -116.59 -123.94 123.01 58.05 41.12 0.84 33.03 20.20 6.73 0.14 0.89 0.00 34.92 4.08 68 G C S 33.83 9.92 19.02 29.16 109.26 -45.80 64.75 -127.77 97.81 1.19 1.00 2.75 49.15 46.08 0.03 0.99 0.00 0.82 0.18 69 T C S 56.11 14.09 16.64 30.73 97.68 -7.98 -98.28 -1.59 97.64 1.52 0.84 2.86 48.58 46.39 0.03 0.81 0.00 1.16 0.17 70 D E E 59.18 9.06 22.47 32.63 118.83 86.86 -105.24 132.02 39.04 60.60 0.36 25.75 12.85 2.18 0.05 0.42 0.00 56.06 2.68 71 F E E 7.30 24.80 16.11 41.43 127.79 -173.74 -126.74 141.45 16.78 83.21 0.01 15.83 0.56 0.03 0.00 0.01 0.00 83.09 0.48 72 T E E 34.97 10.55 27.36 38.98 122.61 -164.14 -117.70 134.14 4.10 95.89 0.00 3.68 0.14 0.00 0.00 0.00 0.00 96.11 0.06 73 L E E 2.84 26.26 18.99 46.21 119.30 -161.91 -111.61 128.78 0.36 99.64 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.61 0.00 74 T E E 39.05 10.24 27.35 38.46 119.53 -164.20 -114.66 127.48 0.18 99.82 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 75 I E E 6.80 24.35 16.57 41.54 117.35 -166.42 -113.78 124.33 2.58 97.42 0.00 2.73 0.03 0.00 0.00 0.00 0.00 96.79 0.46 76 S C C 44.25 7.68 23.02 30.98 123.50 -168.76 -108.99 157.93 91.75 8.22 0.04 46.85 41.93 1.78 0.00 0.06 0.00 9.19 0.20 77 R C S 144.11 3.96 23.85 27.98 95.65 9.53 56.45 53.18 98.72 1.26 0.01 10.15 86.75 1.82 0.00 0.01 0.00 1.17 0.09 78 L C C 14.56 24.28 10.48 34.42 114.67 -152.91 -76.42 134.27 99.15 0.84 0.01 97.99 1.35 0.02 0.00 0.00 0.00 0.31 0.32 79 E C C 85.35 4.58 24.71 29.06 130.30 -171.17 -124.66 156.70 99.88 0.10 0.01 99.60 0.31 0.00 0.00 0.00 0.00 0.02 0.06 80 P H G 62.42 14.68 14.98 29.52 91.24 -106.18 -58.80 -30.80 3.17 0.02 96.82 0.15 0.18 2.00 0.22 97.45 0.00 0.01 0.00 81 E H G 124.48 3.98 21.81 26.63 90.18 62.93 -71.41 -16.03 2.71 0.03 97.26 0.08 0.14 1.82 0.14 97.81 0.00 0.02 0.00 82 D H G 16.71 19.84 17.36 37.56 94.50 61.27 -87.92 -2.27 3.73 0.05 96.22 0.43 0.35 1.64 0.20 97.33 0.00 0.04 0.00 83 F C C 34.61 19.13 20.29 39.36 117.54 101.67 -82.46 136.13 79.45 20.33 0.22 76.79 2.66 0.10 0.02 0.19 0.00 19.82 0.42 84 A E E 10.44 19.04 23.82 42.06 140.06 166.99 -148.38 169.25 3.83 96.16 0.00 3.65 0.18 0.01 0.00 0.00 0.00 95.92 0.24 85 V E E 26.08 16.88 25.75 42.36 119.82 -112.37 -107.16 132.27 0.50 99.50 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.51 0.01 86 Y E E 6.55 24.97 21.51 46.46 123.55 -165.77 -115.39 137.40 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 87 Y E E 28.31 16.89 26.90 43.53 129.18 -167.89 -122.52 145.41 0.82 99.18 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.20 0.02 88 C E E 3.84 24.60 20.50 45.35 123.64 -155.54 -114.17 138.87 3.97 96.02 0.01 3.55 0.23 0.02 0.00 0.01 0.00 96.13 0.07 89 Q E E 38.44 12.88 24.30 37.55 127.84 -170.20 -123.70 144.47 2.65 97.32 0.04 2.18 0.25 0.05 0.01 0.02 0.00 97.41 0.09 90 Q E E 51.49 15.33 16.89 32.36 117.82 -143.30 -102.28 129.87 7.31 92.60 0.09 5.93 1.00 0.19 0.01 0.06 0.00 92.53 0.27 91 H E E 80.38 8.88 14.58 24.72 117.36 -176.79 -120.06 123.01 32.25 67.45 0.30 25.89 4.64 1.46 0.05 0.27 0.00 66.89 0.80 92 D C T 112.91 2.22 14.80 17.54 104.60 -38.47 31.13 -112.01 97.49 1.74 0.78 8.75 32.48 56.31 0.05 0.78 0.00 1.43 0.21 93 T C T 109.31 2.78 13.35 17.25 98.73 -22.44 -91.05 2.92 98.18 0.99 0.84 8.05 35.08 55.06 0.05 0.84 0.00 0.76 0.15 94 S E E 60.66 4.48 16.48 22.27 127.32 80.62 -119.01 150.65 42.58 57.17 0.26 25.39 15.83 2.56 0.03 0.27 0.00 54.92 1.00 95 L E E 46.35 18.61 12.55 30.46 116.63 -122.81 -89.31 131.32 21.52 78.43 0.05 19.38 1.18 0.16 0.01 0.04 0.00 78.91 0.33 96 T E E 54.03 8.71 22.27 31.60 124.80 -169.79 -121.97 139.54 5.28 94.70 0.02 4.71 0.35 0.04 0.00 0.01 0.00 94.19 0.69 97 F E E 63.27 18.96 16.26 34.12 115.70 -134.86 -92.68 132.25 12.48 87.46 0.06 10.72 1.31 0.21 0.02 0.04 0.00 86.69 1.02 98 G C C 21.26 14.32 18.32 32.21 118.44 -145.09 -80.48 -159.74 62.17 37.61 0.22 45.37 12.80 2.73 0.02 0.22 0.00 38.31 0.55 99 G C C 45.61 5.99 22.45 28.38 103.52 -70.24 -70.50 3.01 73.30 26.52 0.17 52.43 16.58 2.51 0.02 0.19 0.00 27.84 0.44 100 G C C 20.92 17.20 15.80 31.86 127.34 -130.01 97.36 173.82 65.26 34.67 0.08 56.70 5.74 0.50 0.01 0.08 0.00 36.61 0.37 101 T E E 41.79 13.90 19.63 33.76 128.05 -110.83 -126.32 143.58 8.88 91.11 0.01 8.13 0.48 0.02 0.00 0.01 0.00 91.03 0.33 102 K E E 108.09 9.11 22.16 31.84 117.75 -135.04 -97.34 134.00 1.37 98.62 0.00 1.23 0.07 0.00 0.00 0.00 0.00 98.62 0.07 103 V E E 11.01 22.82 14.44 37.28 122.70 -167.15 -118.11 133.65 2.02 97.97 0.01 1.93 0.11 0.02 0.00 0.01 0.00 97.83 0.10 104 E E E 96.46 5.41 24.72 30.44 116.51 -149.74 -99.99 129.22 3.77 96.18 0.05 3.43 0.38 0.09 0.01 0.05 0.00 95.84 0.20 105 I E E 17.79 22.49 11.17 33.23 116.58 -154.70 -100.94 128.38 11.04 88.90 0.07 10.59 0.42 0.08 0.02 0.04 0.00 88.06 0.78 106 K E E 116.10 4.48 17.68 23.31 121.85 -163.37 -109.39 143.36 45.08 54.85 0.08 43.94 0.64 0.15 0.02 0.04 0.00 54.03 1.19 107 R C C 152.31 5.87 14.99 22.36 109.73 -101.98 -70.42 134.12 99.65 0.35 0.00 99.56 0.16 0.03 0.00 0.00 0.00 0.24 0.01