# 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 A C C 76.34 3.66 10.35 15.63 115.24 -142.74 -87.38 137.59 99.90 0.05 0.05 99.76 0.10 0.08 0.03 0.00 0.00 0.02 0.01 1 K C C 152.77 2.08 8.70 12.42 114.53 -122.58 -89.91 132.23 88.89 2.37 8.74 84.79 1.47 3.38 6.54 1.49 0.00 1.11 1.22 2 K C C 145.57 2.49 7.58 11.93 114.51 -137.06 -87.10 134.39 81.11 5.13 13.76 63.42 10.98 6.14 9.69 4.45 0.00 3.14 2.18 3 R C C 160.38 2.57 7.92 12.28 112.77 -135.47 -84.90 134.65 73.99 6.80 19.21 57.21 9.71 6.39 13.10 6.74 0.01 4.93 1.91 4 K C C 140.83 2.89 8.44 13.03 107.76 -136.02 -82.41 121.57 67.93 8.20 23.88 50.46 9.74 7.05 15.89 8.78 0.01 6.03 2.03 5 K C C 142.11 2.91 9.09 13.59 103.68 -137.88 -80.80 16.17 64.21 7.15 28.64 45.75 10.26 7.75 18.21 11.04 0.02 5.27 1.70 6 K C C 142.81 2.52 9.80 13.68 104.54 63.90 -83.77 18.98 64.58 5.97 29.45 40.70 13.06 10.55 17.36 12.45 0.04 4.20 1.65 7 N C C 108.16 3.25 9.94 14.61 103.57 73.46 -87.83 17.77 70.65 5.36 24.00 45.58 12.30 12.21 13.03 11.48 0.02 3.44 1.93 8 Y C C 137.20 5.42 8.31 15.21 104.95 98.37 -89.80 23.04 80.43 4.49 15.08 50.02 15.86 14.45 8.60 6.46 0.01 2.55 2.06 9 S C C 82.22 2.52 10.36 14.13 102.09 80.87 -88.90 -2.11 87.96 3.97 8.07 50.76 25.98 11.44 4.50 3.36 0.00 2.00 1.96 10 T C C 87.84 3.34 9.43 14.55 116.84 88.81 -99.16 131.84 95.93 2.11 1.96 56.57 37.90 1.70 1.43 0.54 0.00 0.93 0.93 11 P C C 90.64 4.24 8.80 14.99 112.68 -110.37 -67.46 148.80 89.47 1.55 8.98 71.72 10.42 7.47 5.20 3.54 0.00 0.88 0.76 12 K C C 150.79 2.27 9.14 13.07 112.94 -120.13 -85.22 140.36 82.65 4.60 12.75 59.46 15.29 7.72 7.75 4.98 0.00 2.58 2.19 13 K C C 155.36 1.94 9.24 12.67 112.24 -116.04 -87.11 129.89 77.88 8.82 13.30 58.45 13.39 5.38 8.87 4.79 0.01 5.11 4.00 14 I C C 106.03 4.76 7.13 13.73 114.16 -153.09 -97.67 126.00 82.56 5.75 11.69 71.36 7.47 3.42 8.71 3.15 0.00 3.78 2.12 15 K C C 159.80 1.43 9.62 11.81 103.31 -162.06 -90.87 10.24 79.02 5.50 15.47 58.00 13.60 6.89 11.98 4.13 0.01 3.43 1.95 16 H C C 130.22 3.09 7.96 12.81 115.39 66.43 -101.24 130.36 78.22 5.69 16.08 55.62 14.27 7.83 11.82 4.76 0.01 3.59 2.09 17 K C C 145.61 2.44 8.70 12.82 113.65 -149.86 -93.53 131.78 75.12 5.36 19.52 53.51 12.44 8.65 14.28 5.75 0.01 3.58 1.78 18 R C C 158.80 3.18 7.87 12.89 114.60 -134.02 -88.33 131.22 75.40 4.85 19.75 50.33 14.19 10.49 14.18 5.98 0.01 3.17 1.64 19 K C C 148.85 2.29 9.09 12.93 111.68 -145.96 -91.95 133.94 76.83 4.77 18.40 48.21 17.48 10.79 13.54 5.30 0.01 3.21 1.44 20 K C C 154.94 2.02 9.54 12.91 112.31 -114.69 -88.38 128.13 76.15 7.70 16.14 50.52 16.66 8.45 12.53 4.28 0.02 5.42 2.12 21 V C C 86.11 6.13 7.92 15.74 118.10 -160.54 -104.18 134.20 75.58 9.84 14.58 58.87 11.46 4.46 12.47 3.01 0.01 7.36 2.38 22 K C C 152.06 2.14 12.01 15.29 112.89 -136.82 -88.65 128.74 72.76 11.51 15.72 57.06 9.74 5.16 12.99 3.49 0.01 9.05 2.50 23 L C C 92.52 7.43 9.76 18.63 117.65 -133.79 -91.85 137.36 68.98 12.64 18.38 55.47 8.47 4.53 13.97 4.79 0.01 9.89 2.86 24 A C C 60.51 5.44 12.85 19.80 111.78 -127.59 -80.71 134.19 66.25 14.33 19.42 54.78 6.90 4.29 13.32 6.19 0.01 11.11 3.38 25 V H G 79.48 8.50 11.58 21.08 103.35 -139.43 -79.84 -1.22 35.89 11.47 52.64 25.37 6.38 6.63 17.53 33.19 0.03 9.39 1.47 26 L H G 98.55 6.08 13.63 20.90 100.31 67.98 -82.10 -13.82 31.27 9.61 59.12 14.34 7.98 12.00 14.21 42.26 0.07 8.02 1.12 27 K H G 112.87 6.08 15.59 22.79 116.75 44.32 -104.07 126.91 34.15 9.49 56.36 14.92 8.19 13.68 11.00 42.97 0.03 8.35 0.86 28 Y C C 83.89 11.65 13.24 25.76 119.60 -158.59 -106.70 137.40 65.00 22.25 12.74 41.59 17.19 6.77 3.89 8.38 0.01 20.63 1.54 29 Y E E 75.71 11.51 12.89 25.51 129.51 -161.50 -121.97 152.33 18.86 80.95 0.19 16.72 1.89 0.22 0.08 0.11 0.00 80.15 0.84 30 K E E 115.60 4.61 16.77 22.82 125.34 -146.27 -116.73 146.52 2.51 97.48 0.02 2.41 0.14 0.02 0.00 0.01 0.00 97.26 0.15 31 V E E 71.26 9.70 9.57 20.53 117.56 -128.85 -100.19 133.32 2.86 97.12 0.01 2.85 0.10 0.01 0.01 0.00 0.00 93.81 3.22 32 D C C 61.65 4.34 10.27 16.66 124.37 -138.48 -87.63 173.53 97.22 2.76 0.03 97.55 0.22 0.05 0.00 0.01 0.00 1.84 0.33 33 E C T 175.33 0.44 9.23 9.38 90.31 -90.64 -63.90 -22.36 99.47 0.20 0.33 0.28 2.50 96.78 0.01 0.28 0.00 0.13 0.02 34 N C T 132.72 0.49 10.52 9.81 92.50 54.16 -88.20 1.23 99.61 0.06 0.33 0.14 2.45 97.08 0.00 0.29 0.00 0.03 0.01 35 G C S 41.82 5.50 9.56 17.00 95.78 -106.04 83.43 7.14 99.47 0.31 0.22 14.42 84.33 0.81 0.02 0.15 0.00 0.16 0.10 36 K C C 116.04 2.37 14.12 17.49 118.56 136.21 -84.39 144.47 95.89 4.10 0.01 95.26 1.37 0.04 0.00 0.01 0.00 2.69 0.63 37 I E E 68.76 13.33 9.52 23.14 115.57 -128.44 -92.69 130.20 0.93 99.07 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.32 0.67 38 H E E 100.00 4.63 17.17 23.11 125.20 -173.12 -123.54 143.08 0.78 99.22 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.13 0.05 39 R E E 116.33 10.77 12.64 24.21 111.97 -119.35 -81.34 126.26 8.26 91.73 0.02 7.87 0.45 0.05 0.00 0.01 0.00 91.07 0.55 40 L C C 75.09 7.93 15.55 24.90 101.79 -173.05 -90.98 -27.44 75.19 24.68 0.13 55.98 16.12 1.07 0.01 0.14 0.00 26.23 0.44 41 R C C 97.74 10.10 15.85 26.57 131.04 1.68 -138.74 145.20 72.91 26.95 0.14 57.86 12.77 0.86 0.02 0.15 0.00 27.57 0.77 42 R C C 115.56 10.36 16.95 27.98 122.66 -155.86 -110.18 137.67 57.10 42.79 0.11 54.22 2.60 0.24 0.02 0.08 0.00 41.18 1.67 43 E E E 85.65 10.08 18.44 29.03 127.00 -144.04 -114.41 147.33 19.72 80.18 0.10 17.48 1.23 0.06 0.09 0.03 0.00 43.29 37.82 44 C C C 21.68 17.43 10.86 28.45 112.49 -115.82 -83.46 127.50 82.81 17.15 0.05 80.85 2.39 0.15 0.01 0.04 0.00 14.38 2.19 45 P C C 93.85 3.60 17.84 22.20 94.82 -141.31 -74.88 -15.19 96.29 3.48 0.23 57.07 36.30 3.14 0.02 0.30 0.00 2.43 0.73 46 G C S 29.36 6.02 12.79 20.60 130.33 55.00 -122.81 167.20 94.67 3.59 1.74 12.92 72.89 8.54 0.33 1.13 0.00 1.32 2.87 47 E C T 166.92 0.97 13.90 14.81 92.32 -104.43 -66.64 -23.05 90.71 0.67 8.62 2.13 27.98 61.31 0.49 7.34 0.00 0.33 0.41 48 N C T 121.31 2.03 15.69 18.12 95.84 52.72 -86.33 -9.45 89.88 1.17 8.94 4.08 23.19 62.63 0.68 8.11 0.00 0.63 0.66 49 C C C 27.67 17.48 9.92 26.43 114.35 63.39 -101.65 83.17 81.48 11.33 7.19 36.70 25.58 17.91 1.61 5.00 0.07 3.48 9.64 50 G C C 27.20 6.30 18.45 25.75 127.89 -148.42 75.24 -171.95 92.15 5.71 2.15 71.49 12.52 7.32 0.45 1.89 0.00 2.44 3.89 51 A C T 73.75 5.44 18.63 24.91 107.53 -54.47 -64.96 133.13 95.71 2.05 2.24 3.28 10.13 82.10 0.19 2.24 0.00 1.24 0.81 52 G C T 31.27 9.68 19.51 29.63 95.33 31.56 75.64 -2.12 96.51 1.40 2.09 5.29 10.49 80.16 0.07 2.63 0.00 1.15 0.21 53 V C C 25.04 17.10 16.75 34.36 117.43 121.18 -84.59 135.57 68.82 30.54 0.64 61.65 6.13 0.53 0.10 0.56 0.00 29.14 1.88 54 F E E 52.38 13.15 23.18 36.44 128.58 -164.35 -121.13 146.82 11.17 88.80 0.03 10.49 0.67 0.04 0.01 0.02 0.00 87.09 1.67 55 M E E 40.14 18.31 19.11 36.79 119.28 -125.45 -95.36 138.39 4.72 95.28 0.00 4.64 0.11 0.00 0.00 0.00 0.00 95.15 0.09 56 A E E 23.06 13.10 19.64 33.62 131.10 -173.29 -126.50 152.86 1.31 98.69 0.00 1.21 0.05 0.01 0.00 0.00 0.00 98.69 0.04 57 A E E 56.35 10.37 16.00 27.16 119.44 -129.34 -103.87 133.26 3.01 96.98 0.02 2.58 0.31 0.03 0.00 0.01 0.00 96.86 0.22 58 H E E 82.23 8.39 12.33 22.43 125.83 172.76 -134.17 136.35 44.21 55.71 0.08 40.46 2.43 0.23 0.01 0.06 0.00 56.10 0.69 59 E C T 157.98 1.12 14.98 15.51 100.42 -37.19 49.54 -64.49 98.86 0.95 0.19 1.63 43.74 53.59 0.00 0.20 0.00 0.75 0.08 60 D C T 112.17 3.75 13.68 18.74 96.25 -23.27 -67.42 13.00 99.09 0.81 0.10 1.45 42.94 54.75 0.00 0.12 0.00 0.69 0.05 61 R E E 82.88 9.35 14.86 25.73 133.23 85.84 -127.91 154.97 19.95 80.04 0.01 15.95 2.38 0.09 0.00 0.01 0.00 81.41 0.17 62 H E E 44.48 14.84 16.29 32.02 123.12 -149.80 -117.03 135.36 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 63 Y E E 54.31 11.58 21.89 34.51 126.82 -169.06 -123.60 139.79 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.01 64 C E E 13.43 18.86 16.38 35.74 120.45 -157.21 -112.26 132.19 8.39 91.61 0.01 7.24 0.49 0.03 0.00 0.01 0.00 92.09 0.14 65 G C T 23.68 11.34 19.63 31.03 117.94 -125.17 -59.45 -150.67 92.05 4.74 3.21 2.78 16.30 72.34 0.07 3.90 0.00 4.28 0.34 66 K C T 127.66 5.26 18.97 25.05 94.04 -10.76 -70.26 -28.56 96.91 0.46 2.63 0.67 11.78 84.28 0.04 2.85 0.00 0.27 0.11 67 C C T 49.08 9.85 16.32 27.34 97.14 39.72 -96.65 -0.07 97.72 0.67 1.61 1.30 9.58 86.63 0.03 1.88 0.00 0.47 0.10 68 N C C 75.93 9.46 18.16 28.65 93.84 -120.66 66.79 27.50 75.34 23.71 0.95 34.26 10.40 31.35 0.12 0.99 0.00 21.56 1.33 69 L E E 44.14 12.04 18.44 31.66 117.47 153.29 -84.04 138.30 38.47 61.50 0.03 36.45 1.06 0.08 0.01 0.02 0.00 61.79 0.59 70 T E E 40.38 15.59 18.09 33.68 125.68 -161.09 -117.41 140.74 3.27 96.72 0.01 3.08 0.14 0.01 0.00 0.00 0.00 96.58 0.18 71 F E E 55.75 13.59 20.07 34.12 126.63 -169.47 -123.54 139.42 2.04 97.95 0.01 1.91 0.10 0.01 0.00 0.01 0.00 97.83 0.15 72 V E E 49.82 12.49 17.78 31.11 118.15 -146.42 -103.55 129.70 10.98 88.93 0.10 9.95 0.84 0.17 0.03 0.07 0.00 87.92 1.02 73 F C C 75.68 11.27 15.68 27.86 107.53 -166.04 -99.12 64.80 63.04 36.41 0.55 42.86 15.98 3.84 0.10 0.51 0.00 35.43 1.29 74 S C C 59.04 6.36 14.87 22.46 114.89 12.28 -102.38 129.25 86.61 12.71 0.67 50.92 32.20 4.17 0.13 0.61 0.00 10.49 1.49 75 K C C 91.49 7.00 11.28 19.99 114.30 -156.58 -92.30 131.03 97.09 1.47 1.44 87.89 8.37 1.03 0.63 0.65 0.00 0.84 0.60 76 P H G 85.53 4.38 10.08 16.33 95.19 -120.55 -60.79 -34.46 43.09 0.67 56.24 17.22 5.79 17.38 4.36 54.67 0.00 0.37 0.21 77 E H G 149.62 1.18 10.37 12.04 96.00 58.02 -70.75 -23.83 40.40 0.80 58.80 10.64 6.89 21.78 4.87 55.07 0.01 0.44 0.30 78 E H G 128.13 2.87 9.33 13.73 98.96 56.91 -84.52 -6.55 41.68 0.89 57.42 26.13 3.86 10.22 5.10 53.93 0.00 0.52 0.24 79 K C C 126.05 5.21 9.90 16.75 101.68 84.33 -79.23 4.34 99.19 0.05 0.75 98.75 0.31 0.42 0.33 0.15 0.00 0.02 0.02