# 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 119.15 4.85 20.55 26.13 115.20 -139.49 -94.47 130.21 99.62 0.37 0.00 99.58 0.10 0.02 0.00 0.00 0.00 0.30 0.01 1 I C C 41.69 19.19 11.95 30.39 117.88 -148.54 -102.12 129.43 59.14 40.78 0.08 58.52 0.41 0.14 0.01 0.04 0.00 40.30 0.58 2 V E E 66.91 7.02 20.54 28.53 119.50 -165.56 -114.75 128.56 14.19 85.63 0.18 12.96 1.04 0.25 0.06 0.12 0.00 84.81 0.75 3 L E E 41.62 18.86 13.59 31.99 117.05 -151.93 -100.01 127.19 9.34 90.52 0.14 8.50 0.75 0.22 0.04 0.10 0.00 89.75 0.63 4 T E E 67.15 7.71 20.06 28.48 118.63 -170.76 -115.73 133.08 18.18 81.58 0.24 15.83 1.84 0.45 0.06 0.18 0.00 80.72 0.92 5 Q E E 77.24 12.41 16.04 28.61 126.07 -156.26 -121.72 140.54 48.05 51.69 0.26 35.60 11.68 1.00 0.05 0.23 0.00 50.36 1.08 6 A C C 53.53 9.45 16.94 27.19 119.19 -128.63 -91.91 145.04 79.52 20.35 0.13 53.73 24.15 0.98 0.02 0.13 0.00 20.28 0.72 7 P C C 68.67 8.57 17.04 26.37 113.85 -25.27 -68.97 146.44 87.27 12.49 0.23 50.07 32.38 3.70 0.02 0.29 0.00 13.13 0.41 8 F E E 89.17 12.76 15.80 28.54 105.61 -168.95 -99.96 2.60 48.72 50.97 0.31 33.50 13.29 2.23 0.03 0.36 0.00 49.79 0.80 9 S E E 59.95 8.02 19.64 28.64 130.09 17.01 -129.09 144.27 17.20 82.75 0.05 15.40 1.34 0.13 0.01 0.04 0.00 82.72 0.36 10 L E E 27.06 19.77 14.93 34.36 128.87 -172.82 -133.17 140.93 2.90 97.09 0.01 2.68 0.16 0.01 0.00 0.00 0.00 97.03 0.13 11 S E E 64.07 6.69 23.47 31.21 122.22 -154.54 -112.28 134.56 1.97 98.03 0.00 1.81 0.09 0.00 0.00 0.00 0.00 98.03 0.06 12 L E E 15.84 21.16 13.85 34.85 132.82 176.57 -136.23 151.90 10.67 89.32 0.01 10.31 0.39 0.02 0.00 0.00 0.00 88.05 1.22 13 S C C 51.46 4.95 23.48 28.21 122.01 -121.25 -84.08 158.08 93.96 6.01 0.03 93.32 0.87 0.09 0.01 0.01 0.00 5.24 0.47 14 P C T 59.94 13.81 14.46 28.41 109.33 -79.67 -59.39 135.56 99.31 0.29 0.40 0.21 2.22 97.10 0.02 0.25 0.00 0.15 0.05 15 G C T 46.89 4.15 19.46 24.40 95.72 22.88 88.79 -6.77 99.39 0.22 0.39 0.38 2.63 96.54 0.02 0.27 0.00 0.14 0.02 16 E C C 82.34 8.43 17.67 27.23 122.61 117.75 -85.65 149.99 91.91 7.86 0.23 73.72 17.79 0.45 0.04 0.20 0.00 7.05 0.75 17 R E E 125.19 9.19 18.99 29.32 123.91 -135.07 -109.95 141.24 46.03 53.94 0.03 45.70 0.58 0.04 0.00 0.02 0.00 52.77 0.89 18 A E E 9.45 21.49 15.53 36.98 131.27 -170.72 -132.00 148.63 1.53 98.47 0.00 1.44 0.04 0.00 0.00 0.00 0.00 98.44 0.08 19 T E E 64.43 8.72 24.75 34.05 121.79 -148.98 -115.47 132.76 0.85 99.15 0.00 0.77 0.03 0.00 0.00 0.00 0.00 99.18 0.02 20 L E E 5.99 25.23 17.03 42.74 122.42 -168.12 -116.46 132.95 7.23 92.77 0.01 6.38 0.45 0.02 0.00 0.00 0.00 93.07 0.07 21 S E E 36.87 10.17 26.58 37.18 125.95 -165.47 -118.24 142.98 18.14 81.85 0.01 15.92 1.15 0.05 0.00 0.01 0.00 82.75 0.12 22 C E E 4.98 24.97 17.00 42.24 133.80 -173.89 -138.82 151.27 12.29 87.69 0.02 11.36 0.55 0.04 0.00 0.01 0.00 87.66 0.37 23 R E E 108.31 7.21 26.70 34.73 122.29 -156.25 -117.18 135.03 5.37 94.60 0.03 4.96 0.27 0.02 0.02 0.01 0.00 91.71 3.00 24 A E E 8.11 24.13 12.52 36.42 119.82 -149.54 -95.16 140.80 36.81 62.92 0.27 35.07 1.45 0.24 0.07 0.18 0.00 61.04 1.94 25 S C S 68.34 4.58 21.57 26.43 98.63 -153.03 -85.72 -18.14 86.16 13.13 0.71 34.20 47.05 4.65 0.06 0.71 0.00 12.66 0.68 26 Q C S 95.82 4.85 20.21 25.60 131.33 18.52 -135.97 159.62 89.65 9.15 1.20 13.21 66.57 9.95 0.11 1.05 0.00 8.24 0.87 27 S C C 69.88 6.61 19.56 27.08 114.97 -90.11 -74.98 139.25 89.80 8.67 1.52 72.55 10.95 5.72 0.19 1.73 0.00 7.72 1.14 28 V C C 19.26 22.12 11.68 33.14 122.67 -160.52 -112.17 135.67 78.33 20.11 1.56 65.21 8.24 3.33 0.50 1.25 0.00 13.17 8.30 29 S C C 77.31 3.60 23.07 26.88 103.61 -158.76 -96.31 24.80 87.38 11.30 1.32 58.86 20.46 8.01 0.23 1.35 0.00 8.75 2.32 30 S C S 31.20 15.11 16.35 31.32 128.62 89.96 -117.08 159.40 85.16 11.73 3.11 31.11 40.84 13.62 0.32 3.03 0.00 9.35 1.73 31 S C S 59.02 9.83 21.72 31.60 98.64 -137.87 -85.51 -9.05 85.37 13.16 1.48 16.14 57.19 11.18 0.10 1.40 0.00 13.24 0.77 32 S E E 24.02 14.65 23.49 38.15 128.27 45.20 -129.34 142.42 36.25 62.46 1.29 24.67 7.77 4.35 0.11 1.26 0.00 61.24 0.58 33 L E E 3.58 26.02 20.10 46.43 129.60 -173.56 -131.19 144.21 5.30 94.68 0.02 4.78 0.36 0.03 0.00 0.01 0.00 94.61 0.20 34 A E E 11.63 17.78 27.97 45.57 130.27 -166.66 -126.42 145.54 0.74 99.26 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.28 0.01 35 W E E 8.04 24.63 22.96 47.43 123.98 -152.68 -111.69 138.95 0.58 99.42 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 36 Y E E 24.15 17.30 23.69 41.00 133.45 -175.34 -132.88 150.87 0.63 99.37 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.41 0.02 37 H E E 48.10 14.34 21.63 36.15 121.25 -138.44 -108.85 134.47 2.57 97.43 0.00 2.14 0.20 0.01 0.00 0.00 0.00 97.58 0.07 38 Q E E 53.18 14.14 15.59 30.22 119.67 -154.08 -104.99 135.36 26.84 73.14 0.02 24.40 1.68 0.07 0.00 0.01 0.00 72.63 1.20 39 K C C 99.63 6.18 15.68 23.17 119.60 -140.92 -93.58 145.72 98.23 1.74 0.03 96.40 1.89 0.17 0.01 0.02 0.00 1.24 0.27 40 P C T 103.50 3.99 11.52 17.51 109.47 -86.09 -58.43 133.95 99.63 0.10 0.27 0.37 3.37 95.91 0.01 0.26 0.00 0.06 0.02 41 G C T 69.04 0.29 13.14 10.77 95.39 18.45 83.56 -2.95 99.66 0.07 0.27 0.47 3.36 95.82 0.01 0.29 0.00 0.05 0.01 42 Q C S 88.91 5.58 10.26 17.95 129.16 96.30 -114.19 159.58 94.78 4.82 0.40 35.72 57.96 1.23 0.07 0.34 0.00 1.66 3.02 43 A C C 75.44 2.37 17.96 20.25 116.56 -98.11 -68.77 149.94 97.75 2.23 0.03 88.13 9.65 0.16 0.00 0.02 0.00 1.72 0.31 44 P C C 42.46 18.65 11.54 29.39 115.10 -101.25 -65.95 144.45 90.95 9.02 0.03 89.33 1.70 0.11 0.00 0.02 0.00 8.57 0.26 45 R E E 102.80 8.52 21.86 31.02 124.37 -160.29 -120.78 138.67 8.04 91.91 0.04 7.08 0.79 0.07 0.01 0.02 0.00 91.37 0.65 46 L E E 58.74 16.45 18.86 34.70 110.72 -115.33 -75.31 126.98 1.12 98.87 0.01 1.02 0.05 0.00 0.00 0.00 0.00 98.90 0.04 47 L E E 18.96 19.33 21.67 40.79 101.37 175.42 -96.53 -34.07 2.34 97.64 0.02 1.63 0.56 0.02 0.00 0.00 0.00 97.76 0.02 48 I E E 9.93 21.91 22.36 44.03 136.06 5.31 -147.70 142.18 0.55 99.44 0.01 0.45 0.04 0.00 0.00 0.00 0.00 99.48 0.02 49 Y E E 56.63 17.98 23.74 40.36 129.90 -173.57 -133.44 139.87 4.36 95.59 0.04 3.63 0.38 0.06 0.02 0.02 0.00 95.78 0.13 50 G E E 11.69 17.95 21.89 38.86 130.14 151.76 -146.45 161.96 38.40 60.96 0.63 25.00 11.52 2.83 0.13 0.49 0.00 59.37 0.66 51 A C C 35.19 13.83 20.04 33.70 115.55 -120.88 -99.12 144.14 67.52 27.15 5.33 33.93 22.50 13.02 1.21 3.83 0.02 23.41 2.08 52 S C C 52.47 11.37 17.75 28.92 107.58 -125.81 -87.47 23.24 77.37 9.22 13.41 26.97 26.26 26.07 3.06 9.19 0.06 6.11 2.29 53 S C T 70.49 6.67 17.90 25.17 101.43 25.71 -85.46 -1.11 74.65 6.89 18.46 21.99 26.29 28.60 4.53 12.06 0.08 4.29 2.15 54 R C C 127.55 7.71 17.01 25.36 104.96 55.13 -94.08 21.32 65.77 16.89 17.35 30.86 18.31 19.02 5.24 10.94 0.15 11.37 4.10 55 A C C 42.84 15.86 12.48 27.51 110.94 120.06 -86.76 115.20 69.17 19.14 11.70 45.88 13.44 10.50 4.04 7.64 0.03 14.05 4.42 56 T C C 88.61 4.97 18.06 24.21 113.89 164.92 -101.81 123.67 72.79 19.68 7.53 37.54 17.64 19.33 2.43 4.75 0.06 14.37 3.88 57 G C C 41.72 6.15 19.37 26.29 111.80 -0.92 95.77 7.63 83.83 13.54 2.63 40.14 26.97 17.69 0.49 2.27 0.00 9.66 2.78 58 I C C 36.50 21.30 11.71 31.76 116.90 119.62 -90.82 132.07 91.52 8.26 0.22 74.38 16.96 0.59 0.09 0.15 0.00 4.99 2.84 59 P C C 44.33 10.38 16.02 27.77 114.66 -111.09 -66.54 151.95 94.48 3.44 2.08 87.62 3.84 3.01 0.39 1.74 0.00 2.32 1.07 60 D C T 122.31 2.05 17.74 20.44 92.70 -110.68 -63.62 -23.52 80.66 1.72 17.62 6.49 18.64 54.69 1.24 17.24 0.01 1.12 0.57 61 R C T 111.41 9.38 17.88 27.70 94.01 63.05 -82.08 -8.62 73.44 6.95 19.61 7.63 15.45 50.30 1.40 18.40 0.03 5.80 0.98 62 F E E 20.10 23.35 12.98 35.49 111.50 72.94 -105.00 99.06 27.71 59.33 12.96 18.90 7.54 5.06 2.99 8.87 0.04 53.14 3.45 63 S E E 51.70 8.72 22.53 32.12 132.14 141.38 -131.13 151.87 22.45 76.66 0.88 18.23 3.74 1.10 0.45 0.50 0.00 72.85 3.12 64 G E E 23.08 16.22 17.32 32.79 141.31 163.68 -159.39 167.87 28.13 71.48 0.39 22.83 4.89 1.22 0.12 0.28 0.00 69.40 1.26 65 S E E 65.94 5.82 21.44 28.87 131.79 -143.80 -136.58 155.11 39.76 59.88 0.36 33.11 5.41 1.21 0.09 0.30 0.00 58.30 1.58 66 G C C 26.82 13.24 15.59 28.92 139.67 148.44 -166.03 175.30 58.41 41.16 0.43 43.93 12.30 2.64 0.08 0.47 0.00 37.90 2.69 67 S C C 73.60 4.15 20.62 25.83 124.07 -114.48 -127.15 141.66 72.04 27.09 0.87 45.86 20.55 6.71 0.15 0.95 0.00 21.32 4.45 68 G C S 32.73 9.68 18.87 28.78 116.56 -15.29 75.34 -142.88 93.96 4.74 1.30 9.79 56.82 27.41 0.06 1.41 0.00 3.80 0.72 69 T C S 63.78 12.26 17.74 30.16 98.31 -20.51 -92.84 -7.66 93.77 4.99 1.24 7.84 58.13 27.87 0.06 1.25 0.00 4.22 0.64 70 D C S 59.72 9.20 22.36 32.52 118.93 78.44 -108.90 130.64 69.64 29.46 0.90 21.66 35.69 13.05 0.08 1.04 0.00 25.62 2.86 71 F E E 9.49 24.74 16.58 41.53 123.90 -170.10 -121.22 136.25 43.90 55.99 0.10 37.49 4.57 0.55 0.02 0.10 0.00 55.20 2.07 72 T E E 36.62 11.00 27.21 39.08 122.98 -162.84 -118.30 135.57 16.96 83.03 0.01 15.06 1.22 0.05 0.00 0.01 0.00 83.20 0.47 73 L E E 3.14 26.19 19.18 46.21 119.95 -160.19 -112.83 128.45 1.45 98.55 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.57 0.03 74 T E E 40.11 10.16 27.16 38.14 119.92 -164.22 -115.90 128.51 0.27 99.73 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.69 0.02 75 I E E 7.26 24.16 16.44 41.22 117.21 -167.06 -114.25 123.88 2.94 97.06 0.00 3.10 0.03 0.00 0.00 0.00 0.00 96.28 0.59 76 S C S 46.65 7.32 22.93 30.54 122.95 -169.51 -104.59 155.00 91.46 8.50 0.03 43.19 44.85 2.06 0.00 0.06 0.00 9.64 0.20 77 R C S 145.36 3.99 23.79 27.82 94.85 8.98 57.27 51.99 98.71 1.28 0.01 8.30 88.41 1.97 0.00 0.01 0.00 1.23 0.07 78 L C C 15.05 24.16 10.37 34.15 114.55 -149.96 -75.16 135.63 98.71 1.29 0.01 97.77 1.25 0.02 0.00 0.00 0.00 0.44 0.52 79 E C C 84.92 4.81 24.41 28.97 129.41 -170.34 -122.48 155.27 99.87 0.12 0.01 99.64 0.26 0.00 0.00 0.00 0.00 0.02 0.07 80 P H G 65.70 13.90 15.01 28.93 91.13 -106.80 -58.80 -32.07 3.11 0.01 96.88 0.14 0.17 2.00 0.24 97.45 0.00 0.01 0.00 81 E H G 124.14 3.97 21.63 26.43 90.27 63.05 -70.92 -16.20 2.59 0.02 97.39 0.07 0.12 1.79 0.15 97.86 0.00 0.01 0.00 82 D H G 16.10 20.01 17.01 37.38 94.69 60.18 -89.76 -2.64 3.51 0.04 96.45 0.36 0.32 1.68 0.22 97.38 0.00 0.03 0.00 83 F C C 37.35 19.01 20.17 39.02 117.72 103.31 -81.87 135.38 91.16 8.69 0.15 87.82 3.31 0.09 0.01 0.13 0.00 8.36 0.27 84 S E E 12.55 17.66 24.04 41.19 143.60 151.56 -156.74 173.86 6.60 93.39 0.01 6.07 0.44 0.02 0.00 0.00 0.00 93.07 0.40 85 L E E 32.89 16.64 25.57 41.80 119.54 -94.11 -105.37 133.42 0.60 99.40 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 86 Y E E 7.13 24.96 21.45 46.32 124.19 -166.58 -116.63 137.34 0.38 99.62 0.00 0.33 0.02 0.00 0.00 0.00 0.00 99.64 0.01 87 Y E E 28.36 17.55 27.13 44.21 128.60 -169.42 -124.11 143.82 1.53 98.45 0.01 1.29 0.08 0.01 0.00 0.00 0.00 98.58 0.03 88 C E E 3.58 25.00 21.71 46.75 124.08 -161.01 -118.18 137.93 7.79 92.13 0.08 6.47 0.88 0.12 0.02 0.04 0.00 92.31 0.16 89 Q E E 37.76 14.64 25.60 40.10 128.03 -171.92 -123.95 143.40 9.25 90.60 0.16 8.10 0.86 0.17 0.04 0.08 0.00 90.36 0.40 90 Q E E 43.92 17.02 18.97 35.61 118.81 -146.08 -102.41 132.17 19.93 79.78 0.29 17.05 2.36 0.52 0.09 0.18 0.00 78.81 0.99 91 Y E E 90.68 11.26 17.05 28.94 118.24 -163.32 -111.18 127.71 47.46 51.93 0.61 35.81 9.58 3.08 0.14 0.57 0.00 48.72 2.10 92 G C S 40.20 5.42 14.53 21.33 126.17 60.56 124.65 -171.34 86.73 12.40 0.88 23.27 37.63 25.73 0.06 1.00 0.00 11.37 0.93 93 S C S 95.74 1.48 14.07 15.77 99.94 -56.49 -87.42 -3.51 95.79 3.36 0.85 17.71 53.17 24.97 0.06 0.98 0.00 2.54 0.57 94 S C S 65.59 4.12 13.52 19.32 122.45 63.70 -105.80 144.79 92.93 6.60 0.48 26.77 62.24 4.22 0.07 0.44 0.00 5.01 1.25 95 P C C 81.41 6.66 15.87 23.65 113.70 -91.75 -68.18 148.13 89.69 9.49 0.82 55.41 26.48 7.48 0.11 0.87 0.00 8.84 0.81 96 L C C 52.64 16.65 13.31 29.53 115.92 -125.49 -89.08 134.13 61.54 37.52 0.95 49.31 8.55 2.98 0.18 0.84 0.00 36.38 1.76 97 T E E 61.51 9.47 21.26 31.12 123.38 -163.87 -118.52 136.95 30.94 68.42 0.64 26.28 3.24 0.92 0.26 0.43 0.00 63.42 5.45 98 F E E 51.32 19.62 16.05 34.60 115.73 -148.91 -97.81 130.76 33.21 65.89 0.90 25.39 6.20 2.39 0.34 0.68 0.00 59.38 5.62 99 G C C 23.24 12.94 19.13 31.76 118.36 -143.61 -75.54 -167.57 68.42 31.05 0.53 44.08 18.84 5.29 0.07 0.52 0.00 29.95 1.24 100 Q C C 118.49 5.05 22.56 28.02 103.99 -60.93 -83.04 8.44 74.62 24.82 0.55 51.79 18.16 3.94 0.07 0.57 0.00 24.50 0.98 101 G C C 15.98 18.50 16.65 33.93 126.04 -126.03 94.45 172.03 67.64 32.12 0.24 56.42 7.77 1.16 0.03 0.22 0.00 33.78 0.62 102 T E E 28.44 16.41 19.72 36.16 127.27 -114.58 -121.32 144.48 13.01 86.94 0.05 11.75 0.86 0.07 0.01 0.03 0.00 86.83 0.45 103 R E E 115.32 9.32 23.62 33.30 118.86 -137.17 -99.96 132.75 2.08 97.90 0.01 1.83 0.15 0.01 0.00 0.00 0.00 97.90 0.10 104 L E E 10.38 23.76 14.66 38.56 121.68 -163.55 -113.92 132.99 2.21 97.78 0.01 2.13 0.06 0.01 0.00 0.00 0.00 97.72 0.07 105 E E E 92.22 6.02 24.32 30.75 118.99 -158.58 -108.90 130.11 3.98 96.00 0.02 3.86 0.15 0.03 0.01 0.01 0.00 95.72 0.23 106 I E E 24.77 21.35 11.40 32.09 116.18 -152.43 -98.82 126.46 20.65 79.29 0.06 20.87 0.26 0.05 0.02 0.02 0.00 77.89 0.89 107 K C C 125.86 4.24 20.14 25.16 114.98 -155.02 -98.67 132.01 99.24 0.76 0.00 99.30 0.05 0.01 0.00 0.00 0.00 0.63 0.01