# 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 119.94 5.06 19.73 25.64 115.82 -137.96 -88.02 134.99 99.83 0.17 0.00 99.81 0.06 0.01 0.00 0.00 0.00 0.11 0.01 1 T C C 38.60 18.47 11.98 29.50 118.92 -147.15 -101.06 132.47 71.43 28.44 0.13 70.60 0.48 0.21 0.03 0.06 0.00 27.87 0.75 2 T E E 64.38 7.04 20.65 28.46 122.31 -167.20 -117.34 133.51 25.00 74.87 0.13 22.04 2.28 0.30 0.05 0.09 0.00 74.27 0.98 3 L E E 37.31 20.13 13.49 33.02 119.36 -152.58 -106.41 129.52 11.01 88.93 0.06 10.20 0.75 0.10 0.02 0.03 0.00 88.04 0.86 4 T E E 68.15 7.35 21.27 29.29 125.14 -171.53 -121.79 140.06 13.66 86.24 0.10 12.36 1.05 0.17 0.04 0.06 0.00 84.85 1.48 5 Q E E 66.47 15.00 14.73 29.59 125.74 -159.12 -123.11 139.39 40.60 59.23 0.17 32.74 7.27 0.67 0.04 0.15 0.00 57.87 1.26 6 S C C 60.37 7.32 18.13 26.46 121.93 -137.08 -98.49 148.32 78.55 21.32 0.13 46.85 29.82 1.37 0.01 0.14 0.00 21.06 0.75 7 P C C 68.67 7.39 17.25 25.63 113.82 2.26 -68.51 149.02 89.65 10.13 0.21 46.34 38.74 3.69 0.02 0.25 0.00 10.58 0.39 8 A C E 47.37 13.75 15.07 28.76 99.49 -149.87 -83.98 -17.04 55.98 43.73 0.28 40.72 13.02 1.56 0.03 0.30 0.00 43.75 0.62 9 T E E 74.41 7.16 20.14 28.40 128.76 32.16 -129.36 139.76 13.61 86.34 0.05 12.27 1.02 0.10 0.01 0.04 0.00 86.23 0.35 10 L E E 28.20 19.67 14.59 33.95 128.03 -173.43 -130.97 139.41 1.74 98.25 0.00 1.65 0.07 0.00 0.00 0.00 0.00 98.21 0.06 11 S E E 65.37 6.15 23.37 30.63 122.45 -157.41 -115.48 134.86 1.43 98.56 0.00 1.33 0.07 0.00 0.00 0.00 0.00 98.56 0.04 12 L E E 17.27 20.85 13.57 34.24 133.78 173.51 -138.17 152.60 11.11 88.88 0.01 10.78 0.35 0.01 0.00 0.00 0.00 87.95 0.90 13 S C C 52.38 4.74 23.33 27.77 123.03 -122.33 -85.09 158.72 93.81 6.17 0.02 93.26 0.89 0.06 0.00 0.01 0.00 5.37 0.41 14 P C T 60.74 13.61 14.32 28.10 109.73 -80.08 -59.64 135.73 99.41 0.25 0.34 0.18 2.25 97.18 0.02 0.21 0.00 0.13 0.04 15 G C T 47.45 3.95 19.36 24.08 95.85 22.83 88.29 -6.56 99.47 0.22 0.31 0.32 2.66 96.63 0.02 0.21 0.00 0.14 0.02 16 E C C 82.66 8.27 17.45 26.91 121.97 118.71 -83.25 150.42 91.19 8.60 0.21 74.72 16.10 0.42 0.03 0.19 0.00 7.75 0.80 17 R E E 126.54 9.07 18.53 28.85 124.76 -137.35 -112.21 142.15 47.00 52.96 0.04 46.60 0.67 0.06 0.01 0.02 0.00 51.72 0.92 18 A E E 11.13 20.93 15.37 36.15 132.03 -172.73 -133.45 149.56 2.15 97.85 0.00 2.02 0.07 0.00 0.00 0.00 0.00 97.80 0.10 19 T E E 66.57 8.36 24.52 33.45 121.09 -144.85 -113.11 131.90 0.86 99.13 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.15 0.02 20 L E E 7.19 25.13 16.70 42.14 122.17 -167.64 -114.54 133.41 3.60 96.39 0.00 3.20 0.22 0.01 0.00 0.00 0.00 96.52 0.05 21 S E E 37.57 10.07 26.39 36.91 126.80 -168.77 -120.17 144.84 10.76 89.22 0.01 9.53 0.60 0.03 0.00 0.01 0.00 89.73 0.10 22 C E E 6.88 24.66 16.90 41.58 132.00 -176.21 -135.60 147.78 9.30 90.68 0.02 8.38 0.51 0.04 0.00 0.01 0.00 90.83 0.23 23 R E E 111.46 7.03 26.57 34.36 119.83 -153.03 -112.36 132.53 6.55 93.41 0.04 6.06 0.39 0.05 0.02 0.02 0.00 92.09 1.38 24 A E E 10.68 23.49 13.91 36.90 121.22 -166.44 -104.93 141.85 44.19 55.43 0.38 41.47 1.95 0.37 0.12 0.25 0.00 53.60 2.24 25 S C C 51.53 7.30 20.44 28.15 118.66 -140.92 -94.33 155.26 79.22 20.07 0.71 51.82 23.84 3.55 0.10 0.71 0.00 18.72 1.25 26 Q C S 116.71 6.32 16.86 24.11 100.00 -94.13 -81.12 21.33 91.05 7.44 1.51 25.11 52.51 13.78 0.18 1.37 0.00 5.98 1.07 27 S C C 60.67 6.99 17.17 25.09 117.28 80.16 -99.32 142.80 92.38 5.49 2.13 48.99 29.76 13.67 0.32 2.12 0.00 3.72 1.42 28 V C S 70.40 11.75 16.24 28.05 104.58 -113.08 -84.75 25.16 91.11 6.24 2.65 28.59 35.12 27.85 0.34 2.49 0.00 4.17 1.44 29 S C C 40.67 12.47 18.74 31.34 117.52 70.99 -97.42 133.23 89.65 8.41 1.94 40.89 24.03 24.92 0.20 1.99 0.00 7.00 0.97 30 S C C 34.42 14.85 19.79 34.27 106.71 -164.96 -101.30 8.26 80.46 18.53 1.01 46.34 30.41 3.80 0.12 0.98 0.00 17.35 1.00 31 Y E E 59.44 14.09 24.77 38.82 127.78 35.28 -125.51 143.91 29.31 70.43 0.26 24.55 3.80 0.56 0.05 0.21 0.00 69.93 0.91 32 L E E 3.55 26.21 20.73 47.37 124.54 -160.81 -119.68 136.52 4.81 95.18 0.01 4.41 0.28 0.02 0.00 0.00 0.00 95.15 0.13 33 A E E 10.01 18.44 27.51 45.63 129.74 -170.75 -126.45 146.88 0.63 99.37 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 34 W E E 8.49 24.46 23.02 47.33 123.41 -155.39 -112.01 140.07 0.42 99.58 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.59 0.01 35 Y E E 23.86 17.44 23.89 41.25 131.76 -173.89 -129.17 149.21 0.60 99.40 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.43 0.02 36 Q E E 39.96 14.83 21.52 36.55 120.33 -144.16 -109.48 134.23 2.89 97.11 0.00 2.39 0.23 0.01 0.00 0.00 0.00 97.29 0.07 37 H E E 58.37 13.99 15.71 30.21 120.26 -153.32 -106.14 134.30 27.86 72.12 0.02 25.66 1.44 0.06 0.00 0.01 0.00 71.46 1.36 38 K C C 97.49 6.44 15.32 23.11 119.32 -142.06 -92.30 145.55 97.53 2.44 0.03 95.49 2.13 0.18 0.01 0.02 0.00 1.78 0.39 39 P C T 105.74 3.56 11.44 17.03 109.36 -85.07 -58.50 134.05 99.69 0.09 0.22 0.26 2.90 96.57 0.01 0.20 0.00 0.05 0.02 40 G C T 69.37 0.27 13.02 10.48 95.23 18.22 83.65 -3.19 99.72 0.06 0.22 0.36 2.91 96.47 0.00 0.22 0.00 0.04 0.01 41 Q C S 88.13 5.70 10.00 17.83 128.87 97.27 -114.17 157.75 92.43 7.28 0.29 43.51 48.13 0.90 0.07 0.23 0.00 2.49 4.67 42 A C C 74.63 2.45 17.51 20.05 116.50 -98.78 -68.49 149.72 97.12 2.84 0.04 87.65 9.41 0.21 0.01 0.03 0.00 2.32 0.36 43 P C C 44.99 17.84 11.65 28.85 114.77 -98.13 -65.50 144.04 92.86 7.10 0.04 90.10 2.41 0.17 0.00 0.03 0.00 7.08 0.21 44 R E E 100.06 8.81 21.37 30.88 125.82 -161.65 -123.79 138.85 7.82 92.12 0.07 6.91 0.72 0.08 0.02 0.03 0.00 91.57 0.67 45 L E E 60.05 16.05 18.62 34.17 110.72 -114.50 -74.74 126.15 1.12 98.87 0.01 0.99 0.05 0.01 0.00 0.00 0.00 98.91 0.05 46 L E E 20.55 19.05 21.13 39.99 101.33 176.75 -95.80 -32.93 2.03 97.95 0.03 1.38 0.48 0.03 0.01 0.01 0.00 98.07 0.02 47 I E E 15.77 20.37 21.45 41.53 135.06 6.89 -145.28 141.05 0.78 99.20 0.02 0.63 0.06 0.01 0.01 0.00 0.00 99.26 0.03 48 Y E E 66.00 16.52 21.61 37.23 128.14 -173.56 -131.43 136.31 7.78 92.01 0.21 6.14 1.16 0.32 0.07 0.10 0.00 91.96 0.24 49 G C E 18.40 13.99 21.28 35.09 116.40 92.18 -113.39 134.08 53.03 44.81 2.16 31.53 16.00 6.33 0.57 1.44 0.01 43.22 0.90 50 A C C 40.58 14.70 17.44 31.58 101.55 -122.57 -80.92 -4.82 69.69 19.22 11.09 31.87 20.42 19.62 2.86 7.39 0.07 15.53 2.25 51 S C C 58.81 8.38 18.20 26.97 104.81 62.92 -91.63 3.94 75.16 9.99 14.85 26.77 24.22 26.18 3.89 9.74 0.09 6.61 2.51 52 K C C 120.83 7.88 17.15 25.54 103.71 43.23 -90.32 28.13 69.44 13.08 17.48 28.51 24.29 19.02 5.53 10.49 0.17 8.36 3.64 53 R C C 119.19 9.04 16.18 25.89 113.36 119.12 -95.37 124.40 68.22 18.89 12.88 42.63 14.46 11.73 5.26 7.40 0.09 13.05 5.38 54 A C C 44.68 14.06 12.75 26.60 111.45 -147.37 -90.65 123.76 72.41 17.69 9.90 47.38 12.60 12.13 4.03 5.87 0.05 11.89 6.04 55 T C T 86.67 6.29 16.13 23.52 111.41 -151.55 -94.10 116.71 82.71 10.98 6.31 23.80 18.62 41.38 2.05 3.80 0.04 7.38 2.94 56 G C T 53.37 3.70 17.68 22.32 100.37 -6.47 83.03 0.75 91.44 5.97 2.60 19.64 31.26 41.11 0.42 2.11 0.00 4.31 1.15 57 I C C 44.76 16.38 11.63 28.01 118.17 104.05 -102.16 130.45 82.77 16.56 0.67 48.89 33.37 1.80 0.26 0.44 0.00 8.65 6.57 58 P C C 67.97 6.78 19.40 26.93 111.42 -112.69 -67.57 145.88 85.39 11.51 3.11 62.77 14.09 8.19 0.89 2.44 0.00 9.20 2.42 59 S C C 49.17 15.11 15.01 29.37 103.90 -117.56 -75.20 75.18 81.70 12.22 6.08 53.02 17.01 11.85 1.16 5.29 0.01 10.04 1.61 60 R C C 118.00 8.13 21.37 29.82 109.39 104.93 -107.76 74.22 64.80 29.24 5.96 41.72 16.85 7.30 1.37 4.38 0.01 26.21 2.14 61 F E E 34.43 22.18 13.59 34.81 120.98 129.95 -106.69 136.17 32.07 65.99 1.94 25.47 5.50 2.01 0.84 1.20 0.00 61.64 3.34 62 S E E 57.63 6.55 23.03 30.78 134.32 -175.61 -136.27 155.68 21.82 77.61 0.57 18.34 2.81 0.77 0.22 0.31 0.00 75.90 1.64 63 G E E 25.54 15.92 16.08 31.26 139.77 153.64 -163.83 168.92 21.58 78.07 0.34 17.22 4.05 0.96 0.10 0.23 0.00 76.05 1.40 64 S E E 68.13 5.27 20.29 27.33 132.14 -146.01 -136.77 155.25 27.57 72.12 0.31 22.85 4.12 0.93 0.09 0.24 0.00 70.01 1.77 65 G C E 31.51 10.24 15.64 26.73 137.25 131.23 109.53 -171.56 50.37 49.28 0.36 32.09 16.62 3.30 0.05 0.38 0.00 46.14 1.41 66 S C C 78.56 3.34 20.28 24.24 118.99 -104.17 -110.75 127.06 67.09 31.86 1.04 31.47 27.02 10.25 0.15 1.12 0.00 26.82 3.17 67 G C S 32.67 10.12 18.71 28.81 111.75 -37.22 70.25 -134.45 96.57 2.40 1.03 4.93 56.07 35.73 0.04 1.08 0.00 1.83 0.33 68 T C S 55.00 14.47 16.91 31.19 98.15 -12.98 -96.69 -1.52 95.69 3.53 0.79 5.06 56.66 34.11 0.03 0.80 0.00 3.02 0.32 69 D E E 61.03 8.92 22.42 32.41 119.25 86.44 -104.85 132.34 37.59 62.10 0.31 24.82 12.29 1.98 0.05 0.34 0.00 57.36 3.15 70 F E E 9.98 24.07 16.36 40.60 129.84 -175.89 -130.39 144.04 16.67 83.31 0.01 15.55 0.67 0.04 0.00 0.01 0.00 83.12 0.60 71 S E E 29.24 10.97 26.91 38.71 126.43 -162.99 -121.99 139.58 6.14 93.85 0.00 5.39 0.34 0.01 0.00 0.00 0.00 94.11 0.16 72 L E E 3.64 25.86 18.84 45.48 121.37 -162.46 -116.56 129.69 0.74 99.26 0.00 0.77 0.01 0.00 0.00 0.00 0.00 99.21 0.01 73 T E E 44.69 9.88 27.06 37.63 119.80 -162.23 -113.89 128.54 0.31 99.69 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.64 0.02 74 I E E 8.02 23.96 15.91 40.41 116.97 -165.86 -112.39 123.61 4.16 95.84 0.00 4.31 0.05 0.00 0.00 0.00 0.00 94.96 0.69 75 S C C 51.75 6.72 22.71 29.66 119.86 -167.40 -104.93 156.56 93.06 6.84 0.10 48.64 37.58 5.74 0.00 0.17 0.00 7.56 0.29 76 S C S 66.24 4.43 23.94 28.31 104.75 9.04 57.88 77.73 99.01 0.95 0.04 11.02 81.22 6.77 0.00 0.06 0.00 0.84 0.09 77 L C C 19.08 23.84 10.44 33.53 114.00 -150.59 -76.82 132.96 99.17 0.82 0.01 97.22 2.07 0.03 0.00 0.00 0.00 0.28 0.40 78 E C C 88.46 4.32 24.06 28.09 129.54 -172.31 -122.06 155.58 99.87 0.12 0.01 99.46 0.44 0.00 0.00 0.00 0.00 0.02 0.07 79 P H G 69.24 13.09 14.93 28.21 91.17 -107.10 -58.27 -31.62 3.36 0.02 96.63 0.14 0.18 2.13 0.19 97.35 0.00 0.01 0.00 80 E H G 123.33 4.20 21.40 26.45 90.15 62.88 -70.83 -15.60 2.85 0.03 97.12 0.08 0.14 1.93 0.12 97.71 0.00 0.02 0.00 81 D H G 16.18 20.11 16.94 37.42 94.53 61.45 -88.43 -3.06 3.79 0.05 96.17 0.43 0.36 1.73 0.18 97.26 0.00 0.04 0.00 82 F C C 41.99 18.05 20.62 38.59 116.94 102.67 -81.57 136.72 86.80 12.97 0.23 83.77 3.11 0.09 0.02 0.21 0.00 12.46 0.34 83 A E E 11.06 18.78 23.50 41.55 143.48 154.28 -155.20 172.06 5.26 94.73 0.01 4.86 0.33 0.01 0.00 0.00 0.00 94.48 0.31 84 V E E 27.89 16.34 25.67 41.82 119.23 -105.65 -106.12 131.82 0.65 99.35 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.01 85 Y E E 7.11 24.95 21.47 46.43 123.41 -164.42 -113.87 136.53 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 86 Y E E 27.01 17.54 27.01 44.11 130.09 -170.88 -125.01 146.66 0.80 99.20 0.00 0.69 0.04 0.00 0.00 0.00 0.00 99.23 0.02 87 C E E 3.36 24.81 21.46 46.49 124.46 -160.35 -117.38 138.93 4.18 95.79 0.03 3.62 0.32 0.04 0.01 0.02 0.00 95.89 0.12 88 Q E E 34.05 14.46 25.36 39.88 124.80 -163.73 -118.75 137.21 5.95 93.97 0.08 5.38 0.38 0.06 0.02 0.04 0.00 93.83 0.28 89 H E E 30.12 18.61 18.38 36.78 121.98 -157.38 -110.64 134.82 14.05 85.71 0.24 11.38 2.38 0.50 0.06 0.16 0.00 84.99 0.53 90 R E E 97.38 9.75 18.37 28.79 118.78 -155.82 -107.80 129.75 33.33 66.12 0.55 25.62 6.83 1.80 0.11 0.46 0.00 64.05 1.13 91 S C C 43.41 9.68 11.78 22.62 125.62 172.56 -123.48 161.05 66.39 32.35 1.26 41.77 17.11 8.08 0.19 1.18 0.00 30.14 1.53 92 D C S 119.99 1.80 13.89 16.13 98.68 -65.84 -74.07 -13.29 96.42 2.29 1.29 19.78 45.61 31.11 0.12 1.28 0.00 1.70 0.40 93 W C S 167.59 3.81 12.32 17.44 107.44 27.65 -102.39 6.40 94.85 3.77 1.37 20.68 48.98 25.33 0.13 1.35 0.00 2.90 0.62 94 R C C 139.05 3.85 15.39 20.43 122.37 14.06 -111.87 144.03 68.98 30.36 0.66 45.17 20.05 3.89 0.10 0.66 0.00 28.71 1.42 95 T C E 54.67 14.43 13.28 27.65 114.63 -113.63 -79.83 135.68 50.92 48.79 0.28 45.01 3.35 0.83 0.05 0.23 0.00 49.84 0.70 96 T E E 43.98 11.59 19.18 31.55 126.30 -168.91 -121.28 143.41 16.32 83.52 0.17 14.06 1.62 0.33 0.06 0.11 0.00 80.59 3.23 97 F E E 62.39 17.43 17.20 33.88 117.68 -140.40 -101.30 132.66 20.36 79.43 0.21 16.69 3.11 0.64 0.07 0.15 0.00 75.98 3.34 98 G C C 18.73 13.92 18.27 32.13 122.72 -141.47 -82.91 -175.39 64.54 35.22 0.24 43.61 17.24 2.94 0.03 0.24 0.00 35.15 0.78 99 Q C C 117.65 5.04 22.90 28.27 104.01 -70.70 -77.24 40.73 74.74 25.02 0.24 56.38 14.52 2.27 0.03 0.26 0.00 25.98 0.56 100 G C C 14.30 18.66 17.02 34.50 128.75 -134.62 71.60 176.47 62.79 37.11 0.10 54.83 5.36 0.51 0.01 0.09 0.00 38.71 0.49 101 T E E 24.18 17.20 19.70 36.96 127.69 -106.68 -122.66 144.18 7.38 92.60 0.02 6.69 0.46 0.02 0.00 0.01 0.00 92.52 0.28 102 R E E 108.83 9.93 24.00 34.06 119.01 -139.27 -101.06 132.67 1.27 98.72 0.00 1.12 0.06 0.00 0.00 0.00 0.00 98.77 0.03 103 L E E 9.70 23.90 15.03 39.14 120.47 -163.25 -111.61 132.20 1.04 98.95 0.00 1.00 0.02 0.00 0.00 0.00 0.00 98.96 0.01 104 E E E 87.94 6.27 24.90 31.50 119.22 -158.52 -110.78 130.78 1.07 98.92 0.01 1.03 0.03 0.00 0.00 0.00 0.00 98.89 0.03 105 I E E 25.51 20.86 11.69 32.13 116.36 -151.43 -100.19 126.54 6.76 93.21 0.03 6.61 0.20 0.02 0.01 0.01 0.00 92.82 0.32 106 K E E 114.35 4.77 16.44 22.49 119.90 -158.34 -103.92 141.53 40.81 59.13 0.06 40.48 0.43 0.09 0.01 0.03 0.00 58.09 0.86 107 K C C 141.02 4.73 14.48 20.92 110.35 -102.96 -71.41 133.83 99.71 0.28 0.00 99.58 0.17 0.04 0.00 0.00 0.00 0.20 0.01