# 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 114.14 5.76 20.99 27.41 114.42 -141.38 -91.68 129.49 99.54 0.45 0.00 99.46 0.13 0.03 0.00 0.00 0.00 0.38 0.01 1 I C C 35.26 19.75 12.86 32.01 117.64 -151.91 -102.74 128.82 52.86 47.01 0.13 51.61 0.58 0.22 0.02 0.08 0.00 46.87 0.61 2 V E E 61.74 8.29 21.19 30.33 118.89 -164.53 -113.87 128.08 12.55 87.22 0.23 11.16 1.16 0.36 0.06 0.17 0.00 86.53 0.56 3 L E E 32.22 20.10 14.45 34.14 118.49 -156.65 -103.77 127.84 7.19 92.68 0.14 6.42 0.63 0.21 0.04 0.10 0.00 92.16 0.44 4 T E E 63.78 8.38 21.24 30.14 120.82 -170.38 -116.56 135.64 13.31 86.50 0.19 11.66 1.24 0.32 0.05 0.14 0.00 85.79 0.80 5 Q E E 67.27 14.55 15.64 29.96 126.27 -164.54 -122.63 140.67 42.47 57.28 0.25 33.52 8.10 0.84 0.05 0.22 0.00 56.27 1.00 6 S C C 56.09 8.37 18.20 27.33 119.32 -130.08 -95.13 145.82 80.84 19.04 0.11 56.58 22.36 1.02 0.02 0.12 0.00 19.17 0.73 7 P C S 72.62 8.58 17.08 26.25 112.32 -55.09 -68.55 148.87 88.00 11.79 0.21 35.19 44.95 6.68 0.01 0.28 0.00 12.49 0.41 8 G E E 33.04 9.83 17.68 27.73 115.11 133.52 -82.52 -155.25 44.44 55.34 0.22 24.48 17.12 3.41 0.02 0.26 0.00 54.15 0.56 9 T E E 75.71 7.71 19.33 28.05 129.15 -30.43 -128.80 141.04 15.47 84.49 0.04 13.94 1.08 0.09 0.00 0.03 0.00 84.52 0.33 10 L E E 27.16 19.62 14.67 33.97 127.26 -171.46 -127.77 139.45 2.19 97.80 0.00 2.04 0.09 0.01 0.00 0.00 0.00 97.76 0.10 11 S E E 65.99 6.36 23.18 30.64 122.04 -155.99 -114.37 134.02 1.89 98.11 0.00 1.70 0.10 0.00 0.00 0.00 0.00 98.13 0.07 12 L E E 18.40 20.57 13.66 33.99 133.92 172.24 -136.39 152.85 15.40 84.59 0.01 14.69 0.55 0.02 0.00 0.01 0.00 83.79 0.93 13 S C C 53.94 4.60 23.35 27.61 122.18 -122.97 -87.58 156.63 94.03 5.94 0.03 92.91 1.32 0.10 0.01 0.02 0.00 5.20 0.45 14 P C T 61.71 13.58 14.21 27.95 109.45 -81.47 -59.78 135.90 99.15 0.37 0.47 0.32 2.85 96.20 0.03 0.33 0.00 0.21 0.07 15 G C T 47.56 4.04 19.19 24.00 95.95 23.13 88.42 -6.79 99.29 0.26 0.45 0.53 3.24 95.66 0.03 0.34 0.00 0.18 0.03 16 E C C 84.76 7.85 17.65 26.73 122.30 118.30 -84.60 149.75 91.78 7.88 0.35 70.86 20.34 0.68 0.06 0.30 0.00 6.91 0.85 17 R C C 126.37 9.16 18.54 28.91 123.19 -134.24 -107.51 141.43 52.38 47.57 0.05 51.10 0.91 0.08 0.01 0.03 0.00 46.84 1.03 18 A E E 10.08 21.11 15.35 36.41 130.24 -170.94 -129.72 148.26 2.65 97.34 0.01 2.49 0.09 0.01 0.00 0.00 0.00 97.28 0.12 19 T E E 66.80 8.43 24.51 33.55 121.74 -146.38 -114.26 133.16 1.12 98.88 0.00 1.02 0.05 0.00 0.00 0.00 0.00 98.90 0.03 20 L E E 6.32 25.09 16.77 42.30 122.75 -168.04 -117.35 132.92 5.51 94.48 0.01 4.97 0.29 0.02 0.00 0.00 0.00 94.63 0.08 21 S E E 37.93 9.79 26.53 36.81 125.96 -164.47 -115.82 142.99 14.33 85.66 0.01 12.64 0.89 0.04 0.00 0.01 0.00 86.31 0.12 22 C E E 4.87 25.16 16.66 42.15 132.09 -176.08 -135.94 148.78 11.51 88.47 0.02 10.64 0.49 0.03 0.00 0.01 0.00 88.53 0.29 23 R E E 111.21 6.57 26.64 34.01 121.08 -154.44 -113.97 132.66 4.38 95.60 0.02 4.06 0.19 0.02 0.01 0.01 0.00 93.57 2.13 24 A E E 8.17 24.14 11.76 35.60 120.91 -151.35 -96.97 141.86 29.76 70.08 0.16 28.52 1.11 0.16 0.05 0.11 0.00 68.04 2.01 25 S C S 73.30 3.59 21.70 25.49 97.34 -155.05 -86.58 -17.45 87.84 11.88 0.28 27.93 56.74 2.52 0.02 0.27 0.00 12.07 0.45 26 Q C S 87.96 4.84 20.47 25.86 134.64 23.88 -137.43 161.24 90.83 8.75 0.42 10.86 75.53 4.20 0.03 0.35 0.00 8.51 0.52 27 T C C 86.09 6.42 19.88 27.32 114.83 -94.68 -74.42 138.39 89.03 10.24 0.73 79.11 7.04 2.42 0.09 0.81 0.00 9.49 1.04 28 V C C 15.57 22.61 11.53 33.72 123.08 -160.89 -114.96 134.93 72.94 26.31 0.74 65.70 4.73 1.30 0.27 0.53 0.00 16.26 11.20 29 S C C 77.43 3.49 23.40 27.08 103.44 -155.07 -95.77 31.44 87.41 11.92 0.68 63.42 19.80 4.10 0.14 0.68 0.00 9.64 2.22 30 S C S 29.79 15.34 16.28 31.47 130.94 89.54 -118.21 161.52 86.10 10.67 3.23 29.83 44.67 11.90 0.31 3.10 0.00 8.74 1.44 31 T C S 71.64 9.83 21.84 31.68 97.98 -134.32 -85.72 -14.12 86.46 11.59 1.95 15.27 59.35 11.02 0.12 1.83 0.00 11.74 0.67 32 S E E 23.91 14.45 23.53 38.11 129.29 41.94 -133.19 143.38 34.67 63.33 2.01 23.54 7.25 4.41 0.17 1.93 0.00 62.15 0.56 33 L E E 3.75 25.92 20.10 46.29 129.97 -173.38 -131.91 143.98 5.61 94.37 0.02 5.07 0.38 0.04 0.01 0.01 0.00 94.28 0.20 34 A E E 11.47 17.86 27.86 45.54 130.26 -166.88 -127.21 145.89 0.92 99.08 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.09 0.02 35 W E E 7.99 24.62 22.91 47.34 124.81 -154.77 -114.72 140.45 0.76 99.24 0.00 0.68 0.04 0.00 0.00 0.00 0.00 99.27 0.01 36 Y E E 24.36 17.41 23.83 41.16 133.06 -173.81 -131.54 150.72 0.89 99.11 0.00 0.78 0.04 0.00 0.00 0.00 0.00 99.15 0.03 37 Q E E 42.88 14.63 21.56 36.33 123.13 -144.08 -113.34 136.55 2.99 97.00 0.01 2.53 0.24 0.02 0.00 0.00 0.00 97.11 0.11 38 Q E E 52.96 14.06 15.71 30.27 120.83 -155.24 -108.41 136.60 27.83 72.14 0.02 25.12 1.90 0.09 0.00 0.02 0.00 71.65 1.21 39 K C C 99.12 6.25 15.79 23.33 119.52 -139.83 -94.24 145.76 97.80 2.17 0.03 95.67 2.20 0.18 0.01 0.02 0.00 1.60 0.34 40 P C T 103.49 3.99 11.54 17.53 109.53 -86.31 -58.55 134.03 99.58 0.11 0.31 0.45 3.86 95.29 0.01 0.30 0.00 0.07 0.02 41 G C T 69.02 0.30 13.11 10.75 95.40 18.18 83.42 -2.92 99.62 0.07 0.31 0.56 3.74 95.30 0.01 0.33 0.00 0.05 0.01 42 Q C S 89.78 5.47 10.21 17.80 129.54 95.94 -114.54 159.70 94.14 5.36 0.49 36.03 56.64 1.61 0.09 0.41 0.00 1.98 3.25 43 A C C 75.21 2.41 17.73 20.11 116.86 -98.31 -70.75 150.19 97.48 2.48 0.03 85.57 11.91 0.20 0.01 0.03 0.00 1.93 0.34 44 P C C 44.92 17.86 11.85 29.04 114.78 -99.60 -65.83 144.04 90.25 9.71 0.04 88.13 2.02 0.15 0.00 0.03 0.00 9.38 0.28 45 R E E 99.75 9.09 21.52 31.19 124.99 -160.98 -121.23 139.19 9.00 90.93 0.07 7.99 0.88 0.09 0.02 0.04 0.00 90.26 0.72 46 L E E 56.40 16.58 19.01 35.01 110.89 -115.86 -75.53 126.76 1.25 98.74 0.01 1.13 0.05 0.01 0.00 0.00 0.00 98.74 0.05 47 L E E 18.27 19.50 21.93 41.14 101.44 175.83 -96.32 -33.29 2.49 97.48 0.03 1.74 0.60 0.03 0.01 0.01 0.00 97.59 0.03 48 I E E 9.30 22.16 22.34 44.25 134.78 5.74 -146.02 141.26 0.85 99.13 0.02 0.68 0.07 0.01 0.01 0.00 0.00 99.20 0.03 49 Y E E 54.28 17.61 23.60 40.02 129.88 -173.53 -133.40 140.76 6.24 93.66 0.10 5.16 0.68 0.12 0.03 0.04 0.00 93.75 0.21 50 G E E 11.68 17.51 21.33 38.02 130.39 143.85 -145.05 169.12 42.92 56.01 1.06 27.18 12.73 4.16 0.25 0.79 0.00 54.03 0.85 51 A C C 37.87 13.52 19.34 32.66 108.23 -106.25 -86.34 133.68 69.23 23.65 7.11 27.96 24.08 19.51 1.50 5.03 0.05 19.61 2.25 52 S C T 61.59 9.05 18.21 27.24 103.06 -40.09 -80.37 -11.58 80.52 6.91 12.58 20.60 28.04 33.32 2.49 9.03 0.04 4.65 1.83 53 S C T 68.15 7.13 17.62 25.22 102.42 37.40 -88.41 16.13 76.14 8.49 15.37 21.62 27.14 29.48 3.27 10.59 0.07 5.64 2.19 54 R C C 126.11 8.19 17.15 25.99 109.15 57.87 -99.16 87.79 64.49 23.15 12.36 34.07 16.89 15.54 3.97 7.86 0.13 16.67 4.87 55 A C C 40.34 16.20 12.81 28.27 113.04 -140.78 -88.48 129.42 67.60 24.92 7.48 47.05 12.18 8.45 2.71 4.87 0.02 19.92 4.80 56 T C C 87.94 5.24 18.58 24.99 118.58 -165.45 -107.14 133.13 71.09 24.01 4.90 37.97 17.25 17.65 1.50 3.27 0.04 18.90 3.42 57 G C C 40.48 6.55 19.09 26.41 111.81 14.84 95.45 0.34 81.51 16.40 2.09 38.48 27.98 16.30 0.38 1.86 0.00 12.31 2.68 58 I C C 35.95 20.59 12.09 31.51 116.37 2.26 -95.44 129.32 89.05 10.53 0.42 71.00 17.14 1.09 0.15 0.31 0.00 7.22 3.09 59 P C C 51.54 10.26 16.24 27.53 113.22 -114.04 -67.42 151.71 89.07 5.38 5.55 69.64 7.93 10.80 0.85 5.38 0.00 4.16 1.24 60 D C T 119.49 2.48 18.20 21.45 94.27 -107.68 -65.89 -18.66 83.74 3.34 12.91 12.62 24.04 47.02 1.05 12.11 0.01 2.31 0.84 61 R C T 102.60 10.70 17.55 28.39 97.31 60.02 -88.04 -6.39 76.15 10.67 13.18 14.78 21.47 40.53 1.03 11.87 0.02 9.26 1.03 62 F E E 22.08 23.28 12.73 35.22 120.41 79.92 -107.63 134.28 22.52 74.32 3.17 17.14 5.07 2.23 0.87 2.00 0.01 71.03 1.65 63 S E E 53.49 6.75 23.86 31.67 133.95 167.57 -136.55 153.99 8.66 91.15 0.19 7.36 1.14 0.23 0.09 0.09 0.00 90.30 0.79 64 G E E 21.41 19.05 15.31 33.03 141.20 164.73 -153.00 169.06 9.47 90.45 0.09 8.06 1.12 0.20 0.03 0.05 0.00 90.14 0.40 65 S E E 65.02 4.80 22.47 28.80 135.80 -166.22 -146.84 155.30 17.85 82.05 0.10 15.40 1.93 0.31 0.02 0.07 0.00 81.72 0.55 66 G E E 28.64 12.46 15.18 27.95 139.60 136.78 95.03 165.28 37.48 62.34 0.17 27.85 8.90 1.27 0.02 0.18 0.00 60.64 1.14 67 S C C 76.05 3.28 21.23 25.04 119.34 -111.78 -125.27 123.82 59.23 40.19 0.58 39.77 16.62 4.22 0.11 0.62 0.00 34.52 4.14 68 G C S 32.99 10.37 19.08 29.61 109.25 -46.50 64.81 -127.69 98.06 1.06 0.88 2.49 51.88 43.88 0.03 0.85 0.00 0.72 0.15 69 T C S 54.77 14.34 16.74 31.07 97.52 -6.57 -97.90 -2.41 97.97 1.27 0.76 2.41 51.14 44.63 0.02 0.71 0.00 0.94 0.14 70 D E E 59.41 9.07 22.62 32.82 118.76 84.85 -106.88 132.14 39.35 60.28 0.37 25.19 13.52 2.56 0.05 0.44 0.00 56.02 2.22 71 F E E 6.96 24.91 16.21 41.68 127.60 -173.78 -125.75 141.33 14.80 85.19 0.01 14.00 0.47 0.03 0.00 0.00 0.00 85.07 0.43 72 T E E 34.61 10.63 27.47 39.17 122.96 -164.73 -118.05 134.82 3.51 96.49 0.00 3.13 0.11 0.00 0.00 0.00 0.00 96.70 0.05 73 L E E 2.72 26.34 19.06 46.37 119.23 -161.97 -112.49 128.82 0.35 99.65 0.00 0.37 0.00 0.00 0.00 0.00 0.00 99.62 0.00 74 T E E 38.62 10.30 27.41 38.59 119.42 -164.11 -114.56 127.90 0.17 99.83 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 75 I E E 6.57 24.43 16.58 41.68 117.38 -166.37 -114.21 124.15 2.59 97.41 0.00 2.72 0.03 0.00 0.00 0.00 0.00 96.82 0.43 76 S C C 44.49 7.60 23.04 30.91 122.56 -167.05 -107.09 158.17 90.90 9.05 0.04 47.03 40.31 2.22 0.00 0.07 0.00 10.16 0.21 77 R C S 145.19 3.95 23.76 27.82 95.93 8.32 55.87 54.50 98.68 1.31 0.02 11.68 84.58 2.38 0.00 0.02 0.00 1.25 0.10 78 L C C 14.60 24.26 10.27 34.14 114.31 -154.80 -76.55 134.31 98.98 1.01 0.01 97.86 1.34 0.02 0.00 0.00 0.00 0.35 0.42 79 E C C 86.48 4.44 24.49 28.66 130.23 -168.02 -123.76 157.31 99.90 0.09 0.01 99.61 0.31 0.00 0.00 0.00 0.00 0.02 0.05 80 P H G 66.50 13.91 14.92 28.80 91.08 -105.99 -58.56 -31.28 3.37 0.01 96.61 0.14 0.18 2.17 0.25 97.24 0.00 0.01 0.00 81 E H G 125.04 3.93 21.58 26.31 90.04 62.96 -70.93 -16.12 2.90 0.02 97.08 0.08 0.14 1.98 0.15 97.63 0.00 0.02 0.00 82 D H G 16.29 19.93 17.03 37.35 94.20 60.84 -89.34 -2.23 3.85 0.05 96.11 0.41 0.36 1.77 0.21 97.21 0.00 0.04 0.00 83 F C C 35.02 19.09 20.06 39.08 117.53 100.30 -82.82 135.72 80.25 19.49 0.26 77.17 3.07 0.13 0.03 0.22 0.00 18.91 0.48 84 A E E 11.40 18.59 23.65 41.49 140.86 168.52 -149.48 169.02 5.29 94.70 0.00 5.00 0.29 0.01 0.00 0.00 0.00 94.42 0.27 85 V E E 29.35 16.17 25.67 41.66 119.42 -113.48 -105.82 131.95 0.65 99.35 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 86 Y E E 6.53 25.05 20.99 46.10 123.36 -165.96 -115.77 137.34 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 87 Y E E 30.03 16.16 26.94 43.04 128.54 -167.12 -121.70 144.91 0.58 99.42 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.43 0.01 88 C E E 3.85 24.83 19.93 45.04 124.62 -157.08 -116.42 139.86 2.16 97.84 0.00 1.99 0.07 0.00 0.00 0.00 0.00 97.91 0.03 89 Q E E 42.64 11.94 24.48 36.85 128.03 -172.26 -125.74 145.00 1.34 98.66 0.01 1.12 0.09 0.01 0.00 0.00 0.00 98.75 0.03 90 Q E E 58.93 15.03 16.06 31.15 116.66 -138.38 -99.94 128.17 4.86 95.12 0.02 3.96 0.58 0.07 0.00 0.02 0.00 95.21 0.15 91 H E E 83.06 8.10 13.98 23.47 121.46 178.33 -123.17 133.62 26.23 73.63 0.14 21.61 3.28 0.82 0.02 0.13 0.00 73.55 0.60 92 D C T 120.91 1.50 14.61 16.25 102.41 -48.71 35.26 -75.88 99.00 0.64 0.35 3.31 28.55 67.18 0.01 0.37 0.00 0.51 0.08 93 T C T 107.70 3.08 13.11 17.43 98.38 -17.90 -96.74 5.47 99.17 0.46 0.37 3.34 30.13 65.71 0.02 0.39 0.00 0.35 0.06 94 S E E 56.13 5.15 16.71 23.26 130.20 78.94 -123.41 154.01 29.63 70.30 0.08 20.02 9.10 0.75 0.01 0.07 0.00 69.48 0.56 95 L E E 39.88 19.43 12.67 31.42 118.06 -129.36 -99.21 131.16 9.72 90.27 0.01 8.96 0.34 0.03 0.00 0.00 0.00 90.55 0.13 96 T E E 54.67 8.28 22.95 31.79 125.28 -169.69 -121.51 139.19 2.01 97.99 0.00 1.85 0.08 0.01 0.00 0.00 0.00 97.91 0.15 97 F E E 54.39 19.94 15.56 34.42 115.69 -140.70 -96.19 131.09 10.00 89.97 0.03 8.69 0.88 0.12 0.01 0.02 0.00 89.74 0.53 98 G C C 23.22 12.96 18.48 31.21 121.26 -139.42 -79.02 -162.33 65.64 33.95 0.41 44.43 15.14 5.02 0.03 0.45 0.00 34.38 0.54 99 G C C 49.50 4.90 21.81 26.75 100.96 -45.93 -64.42 1.52 73.09 26.44 0.47 32.62 30.64 9.48 0.03 0.55 0.00 26.13 0.55 100 G C C 21.81 16.07 15.75 30.96 123.97 -122.00 87.84 176.16 68.72 31.02 0.26 52.44 11.38 2.66 0.02 0.31 0.00 32.77 0.42 101 T E E 40.05 14.59 18.85 33.57 127.75 -114.13 -124.77 143.41 17.65 82.34 0.02 16.29 0.70 0.04 0.00 0.01 0.00 82.65 0.31 102 K E E 109.97 8.60 22.30 31.67 119.08 -137.31 -100.40 133.78 1.59 98.40 0.00 1.39 0.11 0.00 0.00 0.00 0.00 98.40 0.09 103 V E E 11.59 22.74 14.22 36.94 122.63 -167.18 -118.19 133.04 2.05 97.94 0.00 1.96 0.07 0.01 0.00 0.00 0.00 97.86 0.09 104 E E E 100.66 5.12 23.95 29.41 116.58 -148.95 -100.47 128.19 6.00 93.98 0.02 5.53 0.36 0.07 0.00 0.02 0.00 93.73 0.28 105 I E E 22.79 21.88 10.85 31.88 116.13 -156.63 -99.19 126.33 25.12 74.80 0.08 25.24 0.30 0.07 0.03 0.03 0.00 73.18 1.15 106 K C C 129.20 4.01 20.28 25.04 116.06 -158.31 -98.74 130.93 99.38 0.62 0.00 99.42 0.05 0.01 0.00 0.00 0.00 0.49 0.01