# 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 V C C 71.33 12.26 15.20 27.43 114.07 -164.64 -99.46 122.53 99.76 0.24 0.01 99.79 0.04 0.01 0.00 0.00 0.00 0.14 0.01 1 T C C 68.58 8.22 14.85 24.19 122.99 -174.58 -117.69 146.10 87.99 11.63 0.38 85.97 0.83 1.24 0.09 0.20 0.00 10.67 1.01 2 S C C 63.78 7.72 15.88 24.82 122.60 -146.23 -111.77 142.72 69.16 30.33 0.51 47.79 16.76 3.08 0.07 0.51 0.00 31.06 0.73 3 Y E E 58.08 17.56 13.26 30.42 126.63 -167.26 -124.19 141.70 31.00 68.72 0.28 26.82 3.43 0.48 0.06 0.19 0.00 68.43 0.59 4 E E E 109.22 5.46 22.28 28.68 121.17 -153.60 -112.85 134.35 8.15 91.72 0.14 7.63 0.52 0.09 0.06 0.06 0.00 90.88 0.76 5 L E E 28.07 21.79 12.34 33.41 116.87 -143.76 -95.02 129.51 12.00 87.90 0.11 11.43 0.63 0.11 0.05 0.05 0.00 86.04 1.69 6 T C E 70.34 6.81 21.57 28.77 114.55 -170.02 -106.15 125.20 52.50 47.40 0.09 41.10 10.59 0.48 0.02 0.09 0.00 46.65 1.07 7 Q C S 81.72 11.22 17.01 28.54 125.02 -56.86 -114.99 142.58 82.88 17.06 0.06 36.99 45.35 0.58 0.01 0.05 0.00 16.42 0.60 8 P C C 56.06 10.97 16.75 28.40 115.26 -81.42 -67.19 150.62 88.72 11.02 0.26 77.23 9.40 1.13 0.03 0.27 0.00 11.34 0.60 9 A C S 59.53 10.11 16.51 27.18 95.94 -137.89 -74.85 -28.02 85.49 14.35 0.16 23.41 59.47 1.76 0.01 0.16 0.00 14.70 0.48 10 S E E 57.56 7.00 20.85 28.84 135.80 7.14 -145.66 148.72 22.53 77.29 0.18 17.05 5.15 0.60 0.02 0.19 0.00 76.56 0.43 11 V E E 30.74 20.07 14.60 34.01 131.94 -174.74 -137.49 142.80 3.21 96.78 0.01 2.91 0.21 0.02 0.00 0.01 0.00 96.64 0.22 12 S E E 61.40 7.07 23.32 31.70 130.17 -169.17 -129.15 148.07 2.02 97.97 0.00 1.82 0.14 0.01 0.00 0.00 0.00 97.85 0.17 13 G E E 12.92 15.86 16.76 32.97 142.84 149.32 -164.80 172.64 18.45 81.53 0.01 15.67 2.21 0.06 0.00 0.01 0.00 81.37 0.67 14 S C C 55.17 5.20 23.41 28.61 125.98 -90.53 -105.62 154.07 93.04 6.93 0.03 89.71 3.52 0.13 0.01 0.02 0.00 5.98 0.64 15 P C T 63.74 13.49 14.38 27.97 110.05 -82.68 -60.18 137.14 99.04 0.61 0.36 0.48 3.94 94.83 0.02 0.26 0.00 0.36 0.10 16 G C T 49.05 3.71 19.43 23.86 95.26 22.15 87.30 -5.66 99.40 0.35 0.24 0.71 4.25 94.55 0.01 0.20 0.00 0.25 0.04 17 Q C C 79.62 8.04 17.46 26.69 122.92 119.83 -88.66 152.37 92.50 7.36 0.14 67.82 24.64 0.49 0.02 0.14 0.00 6.05 0.84 18 S C C 62.85 8.52 19.00 28.53 122.75 -129.52 -98.17 144.74 67.74 32.24 0.02 66.77 0.89 0.05 0.00 0.01 0.00 31.68 0.60 19 I E E 14.54 22.27 14.52 36.85 126.68 -166.01 -127.32 139.92 2.16 97.84 0.00 2.10 0.04 0.00 0.00 0.00 0.00 97.77 0.09 20 T E E 67.73 7.33 25.05 32.98 119.10 -150.51 -108.90 130.71 0.36 99.64 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.01 21 I E E 5.64 25.44 16.09 42.26 120.19 -166.40 -114.85 128.26 1.50 98.50 0.00 1.41 0.05 0.00 0.00 0.00 0.00 98.51 0.03 22 S E E 42.40 8.27 26.76 35.70 122.08 -163.51 -111.56 138.52 7.81 92.19 0.01 7.04 0.38 0.02 0.00 0.00 0.00 92.47 0.08 23 C E E 6.35 25.39 15.46 41.12 125.30 -170.42 -122.10 137.67 11.52 88.47 0.01 10.89 0.37 0.02 0.00 0.01 0.00 88.40 0.30 24 T E E 63.08 7.06 25.98 33.64 126.41 -171.98 -125.62 143.85 9.93 90.02 0.04 8.91 0.84 0.10 0.02 0.03 0.00 88.30 1.80 25 G E E 19.50 16.42 18.28 33.93 135.94 112.11 113.99 171.07 36.16 63.53 0.31 27.71 8.46 1.21 0.06 0.30 0.00 60.82 1.44 26 S C C 57.18 7.94 21.76 30.04 124.26 -103.39 -117.44 156.11 61.91 37.47 0.61 43.08 16.99 2.69 0.10 0.61 0.00 34.97 1.57 27 S C C 57.98 9.62 20.11 29.81 116.21 -84.29 -95.14 130.04 74.37 24.29 1.34 54.92 14.70 4.56 0.25 1.32 0.00 21.33 2.91 28 I C C 42.42 18.76 13.86 31.69 106.76 -127.36 -97.52 45.73 78.71 17.18 4.11 51.83 14.84 12.10 0.86 3.65 0.01 11.63 5.06 29 G C T 42.08 5.88 19.02 25.60 113.39 -91.68 74.41 -137.10 87.05 7.83 5.11 20.35 26.61 40.61 0.51 4.83 0.00 5.37 1.71 30 S C T 81.30 3.39 19.93 23.62 98.79 -12.15 -91.33 -0.91 89.82 5.53 4.65 20.49 28.94 40.54 0.41 4.59 0.00 4.00 1.03 31 Y C C 45.17 18.70 13.26 31.52 123.31 94.16 -104.03 141.75 81.64 15.79 2.57 57.23 17.13 7.03 0.42 2.64 0.00 12.55 2.99 32 D C S 69.76 9.93 22.51 32.62 100.63 -166.49 -95.87 -14.55 81.33 18.25 0.41 38.20 39.61 3.37 0.05 0.40 0.00 17.64 0.72 33 L E E 37.82 13.76 23.76 37.85 130.85 32.08 -136.60 141.01 17.18 82.68 0.14 13.59 3.15 0.43 0.02 0.11 0.00 82.22 0.48 34 V E E 3.75 25.86 20.59 46.75 125.16 -169.12 -124.44 135.20 1.78 98.22 0.01 1.61 0.09 0.01 0.00 0.00 0.00 98.22 0.07 35 S E E 12.54 17.32 27.52 44.60 130.37 -172.22 -125.31 146.18 0.80 99.19 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.21 0.01 36 W E E 7.97 24.53 22.39 46.78 127.55 -159.58 -122.28 142.55 0.93 99.06 0.00 0.83 0.05 0.00 0.00 0.00 0.00 99.10 0.01 37 Y E E 27.77 16.81 24.20 40.94 131.51 -172.92 -131.66 147.88 0.89 99.11 0.00 0.77 0.04 0.00 0.00 0.00 0.00 99.14 0.04 38 Q E E 34.59 15.73 21.10 36.95 122.60 -156.85 -115.86 134.76 4.47 95.52 0.01 3.68 0.52 0.03 0.00 0.00 0.00 95.62 0.15 39 Q E E 60.52 12.43 17.23 30.39 116.78 -149.37 -104.27 129.02 31.48 68.48 0.04 27.54 3.01 0.19 0.01 0.04 0.00 68.25 0.97 40 Y C C 83.35 9.13 13.88 24.65 120.23 -158.56 -105.20 141.73 94.62 5.34 0.04 91.41 3.28 0.24 0.01 0.03 0.00 4.15 0.88 41 P C T 103.40 3.64 12.23 17.62 108.84 -87.30 -58.79 134.65 99.49 0.15 0.36 0.63 4.85 94.03 0.01 0.36 0.00 0.10 0.03 42 G C T 68.19 0.39 12.90 11.11 96.09 15.97 83.28 -2.27 99.54 0.10 0.36 0.64 4.81 94.07 0.01 0.38 0.00 0.07 0.02 43 K C S 109.99 4.61 10.75 17.49 129.53 90.41 -117.23 159.80 91.06 8.50 0.44 26.38 62.78 2.30 0.08 0.35 0.00 3.35 4.75 44 A C C 73.78 2.75 16.94 20.03 116.65 -96.93 -71.91 149.11 96.07 3.90 0.03 81.85 14.25 0.20 0.00 0.03 0.00 3.28 0.39 45 P C C 43.84 17.91 11.34 28.60 115.53 -100.67 -64.89 145.68 91.06 8.92 0.02 89.08 1.81 0.10 0.00 0.02 0.00 8.76 0.23 46 K E E 94.58 7.95 21.10 29.82 124.17 -157.26 -117.96 138.73 7.76 92.21 0.03 6.87 0.64 0.05 0.01 0.01 0.00 92.12 0.30 47 V E E 50.88 16.69 17.30 33.59 113.47 -123.19 -83.88 125.73 0.63 99.37 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.37 0.02 48 I E E 34.14 15.83 20.84 36.42 104.23 176.16 -99.22 -22.82 0.86 99.13 0.01 0.78 0.04 0.00 0.00 0.00 0.00 99.16 0.01 49 I E E 37.87 16.43 20.92 37.00 130.24 0.30 -136.80 135.25 0.75 99.24 0.01 0.67 0.03 0.00 0.00 0.00 0.00 99.28 0.01 50 F E E 39.10 17.82 19.41 37.05 124.21 -169.52 -123.95 131.96 2.96 96.98 0.06 2.58 0.17 0.03 0.02 0.01 0.00 97.10 0.08 51 E E E 71.11 9.98 22.88 33.13 115.35 -155.41 -107.99 122.94 13.92 85.50 0.57 12.34 1.12 0.37 0.22 0.28 0.00 85.05 0.63 52 V C E 29.21 19.38 14.24 33.07 102.87 -173.43 -90.39 -0.97 52.44 34.50 13.06 32.04 11.06 10.92 2.04 10.12 0.01 32.66 1.14 53 S C C 66.57 5.93 18.37 24.87 100.13 90.75 -85.32 -12.49 71.51 17.73 10.76 26.92 25.85 20.40 1.07 9.26 0.02 15.02 1.46 54 K C C 135.65 3.42 18.03 22.20 113.11 41.98 -101.73 112.75 80.43 11.12 8.46 37.37 29.80 13.83 0.83 8.12 0.01 8.14 1.91 55 R C C 101.99 13.52 12.24 25.58 118.41 -131.94 -94.16 132.58 94.59 5.19 0.21 64.34 30.04 0.82 0.05 0.16 0.00 3.24 1.34 56 P C C 55.13 10.10 12.88 24.24 114.02 -109.63 -66.55 150.74 94.93 2.86 2.21 79.03 6.79 8.61 0.32 2.36 0.00 1.99 0.89 57 S C T 88.65 2.72 14.48 18.38 110.02 -102.94 -73.70 136.60 92.72 3.29 3.99 19.97 19.79 52.56 0.44 4.08 0.00 1.99 1.15 58 G C T 54.51 3.10 15.86 19.52 100.88 22.52 84.72 -3.27 91.56 4.47 3.98 23.63 22.18 45.70 0.40 4.05 0.00 2.93 1.10 59 V C C 39.97 16.55 10.03 25.93 113.67 107.87 -95.61 123.13 85.22 9.13 5.65 63.62 14.14 6.33 1.27 4.98 0.00 5.06 4.60 60 S C C 65.62 6.66 17.07 24.54 106.45 -127.97 -78.55 28.17 80.95 7.33 11.71 39.59 20.21 21.39 1.44 10.76 0.01 4.67 1.93 61 H C C 116.54 7.90 18.09 26.31 99.52 42.18 -87.38 15.68 79.11 7.78 13.11 29.37 26.38 24.86 1.31 11.22 0.01 5.47 1.36 62 R C C 85.80 12.69 18.48 31.09 103.24 92.23 -95.25 7.76 71.98 19.03 8.99 43.78 19.79 8.90 1.08 7.81 0.00 17.43 1.21 63 F E E 24.13 22.77 14.15 36.28 126.75 62.57 -121.11 140.15 18.65 80.92 0.43 15.76 2.86 0.56 0.18 0.25 0.00 78.39 1.99 64 S E E 52.90 6.97 24.46 32.41 133.66 -175.64 -134.86 153.78 6.71 93.20 0.10 6.08 0.51 0.09 0.04 0.04 0.00 92.57 0.66 65 G E E 20.74 20.25 14.27 33.07 140.15 167.93 -151.49 163.34 11.41 88.52 0.07 9.79 1.15 0.16 0.01 0.04 0.00 88.68 0.17 66 S E E 59.06 5.08 23.40 29.54 135.58 -162.16 -141.85 153.98 9.00 90.92 0.08 7.37 1.23 0.20 0.01 0.05 0.00 90.98 0.15 67 K E E 94.37 15.93 12.97 28.20 126.19 -154.52 -123.55 138.18 10.96 88.89 0.15 8.37 2.40 0.50 0.03 0.12 0.00 88.01 0.57 68 S E E 70.96 3.33 18.46 22.60 117.53 -174.62 -130.70 113.78 28.38 71.40 0.21 22.63 4.96 1.16 0.05 0.20 0.00 69.50 1.50 69 G C T 50.99 2.55 18.40 21.32 109.77 -48.08 60.94 -128.92 98.98 0.74 0.28 1.09 28.65 69.35 0.01 0.27 0.00 0.56 0.07 70 N C T 65.38 14.13 14.91 29.27 96.73 -19.04 -97.99 9.78 99.24 0.54 0.22 0.92 28.99 69.41 0.00 0.21 0.00 0.42 0.04 71 T E E 43.25 10.53 21.52 33.42 125.24 86.66 -113.78 138.85 13.39 86.59 0.02 10.52 2.69 0.13 0.00 0.02 0.00 85.83 0.80 72 A E E 3.46 24.35 16.95 41.96 126.96 -171.25 -126.79 141.06 2.95 97.05 0.00 2.72 0.08 0.00 0.00 0.00 0.00 97.08 0.12 73 A E E 25.53 10.98 27.35 39.48 125.10 -162.18 -121.63 136.25 2.66 97.34 0.00 2.20 0.14 0.00 0.00 0.00 0.00 97.64 0.02 74 L E E 2.89 26.34 18.90 46.12 122.13 -167.86 -118.54 130.61 0.56 99.44 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 75 T E E 42.80 9.90 27.53 38.26 120.02 -162.71 -115.39 128.61 0.13 99.87 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 76 I E E 5.15 25.19 17.08 43.02 117.38 -167.59 -115.12 123.28 1.33 98.67 0.00 1.38 0.01 0.00 0.00 0.00 0.00 98.38 0.22 77 S C C 48.91 7.37 23.68 31.44 128.64 -174.22 -122.38 151.04 79.59 20.33 0.09 44.43 23.33 9.10 0.00 0.11 0.00 22.65 0.37 78 G C S 43.53 3.75 23.99 28.40 93.38 18.80 71.77 23.46 98.69 1.27 0.03 7.14 79.94 11.51 0.00 0.04 0.00 1.29 0.08 79 L C C 12.26 24.68 9.91 34.04 116.00 -161.55 -74.14 140.49 98.94 1.05 0.01 98.28 0.91 0.02 0.00 0.00 0.00 0.46 0.32 80 Q C C 84.90 4.39 23.96 28.11 129.77 -163.76 -118.70 159.85 99.04 0.92 0.04 99.07 0.24 0.01 0.01 0.01 0.00 0.16 0.49 81 V H G 75.82 12.79 14.88 27.76 91.48 -101.93 -59.51 -32.84 3.31 0.02 96.67 0.24 0.23 2.01 0.41 97.10 0.00 0.02 0.00 82 E H G 130.80 2.90 20.86 24.07 90.22 62.46 -70.54 -17.05 2.77 0.04 97.20 0.14 0.19 1.80 0.30 97.54 0.00 0.03 0.00 83 D H G 21.52 19.28 15.08 34.44 93.58 65.08 -83.27 -2.85 3.80 0.04 96.16 0.63 0.40 1.48 0.45 96.99 0.00 0.04 0.00 84 E C C 70.94 14.38 19.33 33.58 113.62 113.85 -73.01 134.48 93.11 6.17 0.72 88.75 4.21 0.28 0.08 0.64 0.00 5.81 0.23 85 A E E 21.17 14.59 21.60 36.25 143.53 131.82 -157.19 173.39 15.79 84.11 0.10 14.56 1.02 0.11 0.03 0.07 0.00 82.09 2.11 86 I E E 58.41 11.50 24.97 36.79 116.99 -89.51 -95.66 133.64 3.86 96.11 0.02 3.44 0.34 0.03 0.00 0.01 0.00 96.02 0.16 87 Y E E 7.04 25.51 18.70 44.55 127.15 -168.60 -120.67 143.16 1.46 98.53 0.01 1.28 0.11 0.01 0.00 0.01 0.00 98.55 0.04 88 H E E 28.36 15.80 27.74 43.64 128.67 -166.07 -124.09 143.58 1.89 98.09 0.02 1.71 0.09 0.02 0.00 0.01 0.00 98.10 0.06 89 C E E 2.83 25.94 21.86 47.96 124.69 -162.19 -118.59 139.28 4.66 95.29 0.05 3.85 0.50 0.08 0.01 0.02 0.00 95.44 0.10 90 Y E E 37.76 15.60 26.21 41.74 131.91 -175.89 -132.05 148.18 5.38 94.53 0.09 4.27 0.81 0.14 0.02 0.05 0.00 94.51 0.20 91 S E E 16.01 19.34 18.97 37.96 126.49 -158.78 -118.86 145.19 10.87 88.92 0.21 8.34 2.06 0.50 0.03 0.15 0.00 88.56 0.36 92 Y E E 82.30 11.50 18.36 30.43 120.28 -168.99 -117.73 133.36 31.70 67.86 0.44 23.60 6.80 2.12 0.08 0.40 0.00 65.97 1.03 93 D C C 84.44 6.31 16.81 23.75 116.02 30.32 -110.03 133.61 85.95 12.80 1.25 33.28 26.18 25.78 0.15 1.14 0.00 12.82 0.66 94 D C S 108.26 3.92 16.67 21.44 98.81 -32.16 -85.59 4.26 95.84 2.85 1.31 28.74 34.19 32.90 0.16 1.22 0.00 2.43 0.35 95 M C E 78.64 9.46 16.57 26.92 127.85 59.92 -123.43 146.61 59.42 39.83 0.76 31.51 18.30 9.13 0.10 0.70 0.00 39.47 0.77 96 I E E 44.80 16.37 17.08 33.46 117.58 -134.70 -102.43 128.36 16.76 83.15 0.09 14.27 1.61 0.27 0.02 0.06 0.00 83.18 0.58 97 I E E 41.42 14.13 21.21 35.85 119.24 -163.70 -112.60 127.23 5.25 94.71 0.04 4.71 0.35 0.06 0.02 0.02 0.00 94.27 0.58 98 F E E 46.16 18.66 19.46 37.20 119.30 -159.20 -106.52 131.80 13.90 85.96 0.14 11.59 1.54 0.42 0.04 0.09 0.00 85.54 0.77 99 G C E 23.13 14.90 20.78 34.59 114.25 -144.32 -72.36 -14.73 54.90 44.36 0.73 22.02 18.75 15.01 0.08 0.68 0.00 42.67 0.79 100 G C S 36.78 10.04 22.52 32.05 100.47 4.81 -50.45 -0.57 69.75 29.42 0.83 16.42 32.42 20.79 0.06 0.84 0.00 28.64 0.83 101 G C C 15.94 16.52 19.04 34.74 123.56 -126.21 93.42 175.48 66.24 33.39 0.37 39.84 20.50 4.59 0.03 0.41 0.00 34.05 0.58 102 T E E 27.07 17.80 19.60 37.00 127.51 -108.22 -123.27 141.45 26.51 73.45 0.04 24.02 1.34 0.10 0.01 0.02 0.00 74.20 0.32 103 R E E 110.21 9.42 24.41 34.03 118.14 -139.45 -99.66 131.13 2.39 97.60 0.01 2.17 0.13 0.01 0.00 0.00 0.00 97.54 0.14 104 L E E 9.62 24.16 15.34 39.70 120.76 -163.86 -112.31 132.93 2.43 97.56 0.02 2.35 0.08 0.01 0.01 0.00 0.00 97.48 0.07 105 T E E 58.50 6.87 24.39 31.69 120.91 -160.71 -113.84 132.29 4.45 95.52 0.03 4.24 0.19 0.03 0.01 0.01 0.00 95.27 0.24 106 V E E 28.78 19.62 12.48 31.75 114.06 -146.36 -92.56 125.75 13.85 86.06 0.10 13.67 0.34 0.08 0.05 0.04 0.00 84.80 1.02 107 L C C 80.37 8.07 18.73 27.38 110.83 -158.24 -90.94 122.48 99.48 0.52 0.01 99.51 0.04 0.01 0.00 0.00 0.00 0.42 0.01