# 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 Q C C 120.42 4.74 16.00 22.16 114.14 -157.80 -92.49 127.32 99.71 0.28 0.01 99.69 0.07 0.03 0.00 0.00 0.00 0.19 0.01 1 S C C 63.45 8.97 12.86 22.72 116.00 -147.61 -97.61 138.09 80.87 17.64 1.49 76.26 1.42 2.39 0.38 0.77 0.00 17.07 1.71 2 A C C 57.03 8.99 15.34 25.15 119.48 -156.95 -103.95 140.07 60.20 37.92 1.88 45.13 11.50 3.52 0.45 1.52 0.00 35.74 2.14 3 L E E 56.45 15.73 13.37 28.83 117.94 -137.81 -97.74 131.92 44.92 53.78 1.30 37.33 5.38 1.52 0.49 0.95 0.00 49.44 4.89 4 T C E 68.99 8.87 18.99 28.69 123.42 -168.90 -118.15 137.12 49.96 49.43 0.61 41.46 6.33 1.01 0.23 0.48 0.00 44.61 5.89 5 Q C C 82.10 12.98 15.37 28.50 123.19 -159.75 -113.54 138.11 76.21 23.68 0.11 59.95 15.07 0.53 0.02 0.10 0.00 23.26 1.06 6 P C C 53.79 11.07 16.02 27.89 115.63 -100.67 -67.17 152.61 83.48 16.00 0.52 73.66 7.14 1.36 0.07 0.48 0.00 16.53 0.75 7 A C S 68.07 7.63 16.69 25.22 95.81 -129.69 -72.98 -27.68 84.37 15.39 0.24 30.67 50.73 2.11 0.02 0.24 0.00 15.75 0.48 8 S E E 59.36 6.58 19.97 27.62 135.22 10.99 -145.14 148.19 29.64 70.08 0.28 21.87 6.79 1.21 0.03 0.31 0.00 69.32 0.47 9 V E E 30.57 19.95 14.16 33.47 131.37 -172.48 -134.92 143.61 5.30 94.68 0.02 4.91 0.36 0.03 0.00 0.02 0.00 94.31 0.36 10 S E E 63.14 6.48 23.05 30.80 128.90 -167.97 -124.98 147.60 3.06 96.94 0.01 2.77 0.22 0.02 0.00 0.00 0.00 96.73 0.26 11 G E E 13.84 14.99 16.74 32.37 143.18 145.61 -168.51 175.50 20.56 79.42 0.02 16.90 3.35 0.10 0.00 0.02 0.00 78.71 0.92 12 S C C 56.61 4.84 23.11 27.98 126.00 -88.22 -108.57 153.21 94.38 5.60 0.02 91.83 2.83 0.09 0.00 0.01 0.00 4.72 0.50 13 P C T 63.53 13.58 14.01 27.70 109.77 -85.66 -60.04 136.21 98.94 0.65 0.42 0.66 3.79 94.72 0.02 0.31 0.00 0.38 0.12 14 G C T 49.96 3.41 19.21 23.34 95.14 21.81 86.82 -5.32 99.36 0.38 0.26 0.77 4.20 94.48 0.01 0.23 0.00 0.27 0.04 15 Q C C 82.45 7.21 17.41 25.92 123.51 119.17 -89.02 152.61 92.53 7.24 0.23 66.12 26.10 0.72 0.04 0.23 0.00 5.97 0.83 16 S C C 64.65 7.86 18.41 27.52 122.04 -130.28 -98.96 144.30 65.18 34.79 0.03 63.48 1.20 0.08 0.00 0.02 0.00 34.37 0.84 17 I E E 17.13 21.81 14.03 35.82 126.28 -165.54 -126.12 138.78 2.80 97.19 0.00 2.70 0.09 0.00 0.00 0.00 0.00 97.03 0.18 18 T E E 71.71 6.46 24.63 31.78 118.24 -148.89 -107.53 129.03 0.54 99.46 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.43 0.02 19 I E E 6.92 25.36 15.20 41.16 120.96 -167.27 -115.58 130.06 1.59 98.41 0.00 1.53 0.05 0.00 0.00 0.00 0.00 98.38 0.03 20 S E E 46.80 7.43 26.57 34.55 122.89 -165.02 -112.16 140.18 9.56 90.43 0.01 8.81 0.37 0.02 0.00 0.00 0.00 90.69 0.10 21 C E E 8.09 24.96 15.20 40.19 130.10 -173.84 -132.18 145.35 17.21 82.76 0.03 15.70 0.90 0.07 0.01 0.02 0.00 83.01 0.29 22 T E E 61.76 7.54 26.19 34.32 127.54 -170.82 -125.59 144.23 14.46 85.46 0.08 12.77 1.45 0.17 0.02 0.05 0.00 84.33 1.21 23 G E E 14.27 18.79 17.43 35.29 137.95 139.75 -163.76 175.98 26.54 73.26 0.20 21.88 4.75 0.56 0.06 0.15 0.00 70.72 1.88 24 T E E 62.61 8.34 22.76 31.59 126.95 -114.94 -119.49 148.78 49.31 50.16 0.54 40.80 7.11 1.21 0.15 0.46 0.00 47.59 2.68 25 S C C 43.92 15.47 14.75 29.64 108.22 -138.89 -93.51 69.84 68.43 16.49 15.08 42.93 16.26 10.11 2.64 12.52 0.02 13.35 2.17 26 S C C 74.25 4.57 18.94 23.95 101.27 87.21 -85.75 -12.11 71.63 7.65 20.72 27.47 23.98 21.87 3.01 16.79 0.03 5.07 1.76 27 D C C 82.25 6.93 18.21 25.88 105.92 52.52 -94.22 65.65 73.88 7.25 18.87 41.67 15.05 17.69 2.72 16.26 0.01 4.79 1.81 28 I C C 29.93 20.92 11.29 30.79 100.89 129.07 -88.07 1.81 76.56 10.49 12.95 50.23 12.82 13.34 3.30 9.83 0.02 5.97 4.48 29 G C T 40.68 5.68 18.84 25.35 109.71 -92.81 63.58 -131.97 87.26 4.03 8.71 18.85 21.62 46.90 1.49 7.12 0.01 2.41 1.61 30 D C T 112.85 2.49 19.23 21.81 97.64 -16.46 -89.33 -2.74 88.25 3.59 8.16 12.08 28.32 48.29 1.05 6.80 0.01 2.36 1.09 31 Y C C 59.65 16.32 14.98 31.08 120.37 81.30 -106.08 134.95 72.60 23.12 4.28 45.52 17.98 9.40 0.89 3.76 0.01 18.09 4.34 32 N C C 57.70 13.32 20.68 33.88 102.98 -170.20 -104.45 3.94 68.65 30.43 0.92 45.93 18.75 3.99 0.16 0.85 0.00 28.92 1.40 33 Y E E 53.78 14.13 24.37 38.71 131.15 54.86 -132.06 148.03 26.14 73.52 0.34 19.66 6.24 1.09 0.07 0.29 0.00 71.78 0.88 34 V E E 3.17 26.18 20.69 47.36 124.11 -160.75 -119.14 135.04 6.09 93.87 0.04 5.25 0.58 0.08 0.01 0.03 0.00 93.87 0.17 35 S E E 12.11 17.18 27.43 44.47 128.71 -168.27 -120.86 145.78 2.19 97.80 0.01 1.89 0.14 0.02 0.00 0.00 0.00 97.92 0.03 36 W E E 8.69 24.33 22.09 46.34 124.88 -155.32 -115.61 140.22 0.96 99.03 0.01 0.82 0.04 0.01 0.00 0.00 0.00 99.10 0.02 37 Y E E 27.16 16.64 23.80 40.52 131.12 -174.37 -131.77 148.57 0.80 99.19 0.00 0.68 0.04 0.01 0.00 0.00 0.00 99.23 0.04 38 Q E E 35.79 15.49 20.89 36.60 124.52 -156.68 -118.06 137.82 4.08 95.91 0.01 3.38 0.41 0.03 0.00 0.01 0.00 95.98 0.18 39 Q E E 63.01 12.27 16.99 29.97 117.92 -146.76 -103.00 128.95 33.06 66.91 0.03 28.28 3.53 0.15 0.01 0.03 0.00 67.28 0.72 40 H C C 73.30 8.91 13.79 24.29 119.69 -156.50 -102.46 140.69 95.27 4.70 0.03 91.79 3.50 0.21 0.00 0.02 0.00 3.76 0.71 41 P C T 103.38 3.56 11.98 17.33 108.89 -89.39 -59.06 134.58 99.50 0.15 0.35 0.82 5.52 93.16 0.01 0.36 0.00 0.10 0.04 42 G C T 68.85 0.32 12.69 10.60 96.93 16.90 83.07 -2.07 99.55 0.11 0.34 0.80 5.39 93.33 0.01 0.38 0.00 0.07 0.02 43 K C S 109.20 4.61 10.33 17.13 128.27 90.39 -115.95 158.88 93.43 6.14 0.44 24.69 66.85 2.24 0.08 0.34 0.00 2.56 3.23 44 A C C 75.33 2.47 17.02 19.70 116.18 -96.53 -72.19 149.55 96.81 3.16 0.03 80.92 15.90 0.25 0.00 0.03 0.00 2.56 0.34 45 P C C 44.52 17.99 11.15 28.38 115.14 -101.67 -65.42 145.05 92.88 7.10 0.02 91.08 1.67 0.12 0.00 0.02 0.00 6.92 0.20 46 K E E 96.16 7.74 21.12 29.61 123.73 -159.42 -116.54 139.43 11.76 88.16 0.08 10.40 1.12 0.14 0.03 0.05 0.00 87.43 0.83 47 L E E 61.71 16.35 17.20 33.00 112.91 -117.49 -78.17 130.17 2.01 97.95 0.04 1.84 0.12 0.03 0.01 0.02 0.00 97.82 0.16 48 M E E 41.74 16.07 20.40 35.93 105.90 -175.41 -100.04 -29.05 6.52 93.33 0.15 5.28 1.08 0.12 0.03 0.09 0.00 93.30 0.11 49 I E E 37.98 16.99 20.52 36.91 125.93 -2.15 -123.64 133.23 8.67 91.15 0.19 7.26 1.09 0.22 0.05 0.11 0.00 90.91 0.35 50 L E E 44.30 16.78 18.35 34.62 119.09 -168.82 -116.33 127.94 33.23 66.10 0.67 28.01 3.76 0.87 0.19 0.45 0.00 65.80 0.92 51 S C C 34.61 11.98 17.52 30.00 128.19 151.94 -123.05 165.88 66.51 30.41 3.08 39.00 18.58 9.81 0.48 2.62 0.01 28.04 1.46 52 N C S 120.33 3.72 19.10 23.79 95.12 -85.12 -67.57 -7.15 86.21 9.24 4.55 18.21 38.65 29.84 0.51 3.91 0.01 7.76 1.11 53 R C S 115.20 8.54 18.88 27.74 101.24 59.12 -96.84 -9.58 80.19 16.40 3.41 24.77 30.21 25.54 0.35 3.03 0.00 15.05 1.04 54 F E E 22.70 23.51 12.25 34.88 123.55 70.38 -112.99 135.51 31.70 67.64 0.66 24.73 6.07 1.58 0.21 0.48 0.00 64.71 2.22 55 S E E 54.45 6.31 23.71 31.04 132.57 -176.16 -132.99 151.58 15.56 84.26 0.19 13.15 2.01 0.38 0.07 0.11 0.00 83.04 1.24 56 G E E 23.91 17.92 15.13 31.91 141.84 168.77 -158.78 167.25 14.59 85.30 0.11 11.86 2.29 0.35 0.02 0.07 0.00 85.09 0.31 57 S E E 60.48 5.15 22.46 28.78 134.01 -144.94 -141.88 154.47 9.78 90.13 0.10 7.82 1.48 0.27 0.02 0.06 0.00 90.14 0.20 58 K E E 100.52 14.67 12.97 27.31 125.18 -148.15 -117.68 136.34 11.58 88.24 0.17 8.81 2.51 0.59 0.03 0.14 0.00 87.40 0.51 59 S E E 69.89 3.62 17.36 22.10 117.07 -174.39 -129.73 113.86 28.25 71.47 0.29 21.31 5.75 1.78 0.06 0.28 0.00 69.37 1.45 60 G C T 51.57 2.31 17.94 20.51 110.34 -47.01 60.67 -130.16 98.58 1.07 0.35 1.58 27.09 70.00 0.01 0.35 0.00 0.87 0.10 61 N C T 70.67 13.08 14.76 28.35 96.36 -17.30 -97.32 8.65 98.75 0.98 0.28 1.40 28.96 68.45 0.01 0.27 0.00 0.83 0.07 62 T E E 46.71 10.29 20.93 32.46 125.58 85.83 -114.45 139.56 13.50 86.48 0.03 10.06 3.27 0.26 0.00 0.03 0.00 85.36 1.02 63 A E E 4.87 23.48 16.84 40.71 126.76 -170.71 -124.83 141.24 4.65 95.35 0.00 4.18 0.19 0.01 0.00 0.00 0.00 95.44 0.17 64 S E E 29.15 10.69 26.82 38.42 126.12 -165.09 -121.76 139.90 5.91 94.09 0.00 4.84 0.49 0.02 0.00 0.00 0.00 94.61 0.04 65 L E E 3.95 25.90 18.42 45.04 123.01 -166.70 -119.68 132.31 1.44 98.56 0.00 1.23 0.07 0.00 0.00 0.00 0.00 98.69 0.01 66 T E E 44.81 9.34 27.14 37.33 119.26 -162.51 -114.03 128.62 0.33 99.67 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.64 0.02 67 I E E 5.69 25.03 15.89 41.71 117.60 -166.00 -114.52 122.68 2.87 97.13 0.00 3.01 0.04 0.00 0.00 0.00 0.00 96.25 0.70 68 S C C 57.69 5.71 23.29 29.48 125.92 -168.09 -113.63 144.83 84.67 15.23 0.10 43.07 25.77 13.60 0.01 0.13 0.00 17.01 0.41 69 G C S 46.70 3.15 23.28 26.62 94.95 17.51 71.14 24.74 98.88 1.08 0.04 7.06 77.36 14.40 0.00 0.05 0.00 1.05 0.08 70 L C C 15.73 24.19 9.42 32.76 116.00 -164.39 -72.99 138.98 99.21 0.78 0.01 98.59 0.84 0.03 0.00 0.00 0.00 0.33 0.22 71 Q C C 86.81 4.04 23.65 27.44 129.82 -169.33 -121.41 157.28 99.20 0.76 0.05 99.20 0.26 0.01 0.01 0.01 0.00 0.15 0.37 72 A H G 58.73 11.82 14.68 26.84 91.36 -103.37 -59.02 -34.34 3.22 0.02 96.75 0.22 0.22 1.96 0.30 97.29 0.00 0.02 0.00 73 E H G 135.43 2.44 20.69 23.27 89.91 62.55 -69.29 -17.50 2.87 0.04 97.09 0.15 0.20 1.84 0.24 97.53 0.00 0.03 0.00 74 D H G 21.72 19.00 14.59 33.85 93.29 64.18 -83.80 -2.92 4.14 0.06 95.80 0.76 0.47 1.58 0.39 96.75 0.00 0.05 0.00 75 E C C 72.86 14.47 18.46 32.77 114.66 111.54 -72.80 135.22 97.34 2.51 0.15 94.42 3.02 0.19 0.02 0.12 0.00 2.06 0.17 76 A E E 24.89 13.33 21.18 34.80 142.46 135.40 -159.86 173.27 8.92 91.05 0.03 8.16 0.70 0.05 0.01 0.02 0.00 89.60 1.45 77 D E E 61.59 10.17 24.47 34.80 117.06 -95.35 -90.15 135.73 1.75 98.24 0.00 1.55 0.11 0.00 0.00 0.00 0.00 98.28 0.05 78 Y E E 12.22 24.45 17.69 42.14 127.40 -170.40 -122.65 143.25 1.33 98.66 0.00 1.16 0.09 0.01 0.00 0.00 0.00 98.70 0.03 79 Y E E 42.31 15.11 27.16 42.31 129.11 -168.19 -126.18 144.22 1.57 98.42 0.01 1.33 0.13 0.02 0.00 0.01 0.00 98.42 0.09 80 C E E 3.64 25.31 21.64 47.09 123.63 -155.37 -113.96 138.58 2.88 97.11 0.02 2.49 0.19 0.03 0.00 0.01 0.00 97.17 0.10 81 S E E 13.56 17.33 25.56 42.56 134.29 -175.19 -133.12 153.43 2.36 97.62 0.02 1.99 0.17 0.02 0.00 0.01 0.00 97.72 0.08 82 S E E 13.52 18.61 20.82 39.37 133.01 -168.90 -134.50 150.53 2.89 97.09 0.02 2.16 0.48 0.06 0.00 0.01 0.00 97.22 0.06 83 Y E E 78.43 13.15 17.94 31.50 121.98 -148.47 -115.67 131.72 8.05 91.90 0.05 6.19 1.38 0.22 0.00 0.04 0.00 91.92 0.25 84 T E E 64.60 8.28 14.21 23.67 114.21 174.23 -128.33 104.36 30.14 69.47 0.39 19.34 8.32 3.41 0.05 0.37 0.00 67.83 0.67 85 G C T 60.46 1.02 15.44 15.76 107.37 -50.23 62.26 -120.12 99.03 0.58 0.39 3.08 30.55 65.43 0.02 0.41 0.00 0.43 0.09 86 S C T 93.97 2.04 14.34 16.98 97.91 -18.84 -96.08 4.23 98.85 0.72 0.43 3.51 32.83 62.54 0.03 0.44 0.00 0.56 0.09 87 V E E 63.28 9.12 15.08 25.75 122.28 90.85 -106.78 137.15 24.31 75.64 0.05 18.95 4.36 0.39 0.01 0.04 0.00 75.82 0.42 88 T E E 43.85 14.91 17.15 32.24 120.21 -155.91 -110.05 131.00 3.63 96.36 0.00 3.29 0.14 0.01 0.00 0.00 0.00 96.46 0.09 89 V E E 30.13 14.95 21.47 36.86 119.74 -165.43 -115.55 127.35 1.45 98.55 0.00 1.33 0.05 0.00 0.00 0.00 0.00 98.53 0.08 90 F E E 55.01 17.99 20.78 37.70 117.27 -151.44 -98.36 133.65 10.75 89.23 0.03 9.28 0.89 0.13 0.01 0.02 0.00 89.35 0.32 91 G C C 15.99 18.02 20.11 36.68 115.76 -155.01 -85.79 -73.90 66.58 33.23 0.19 41.64 19.10 4.01 0.02 0.21 0.00 34.55 0.47 92 G C C 34.73 10.18 23.50 33.18 104.84 -29.18 -4.71 -5.35 77.53 22.30 0.17 47.66 24.96 3.36 0.02 0.20 0.00 23.31 0.49 93 G C C 15.71 16.72 19.28 35.14 124.41 -127.16 95.83 176.22 69.03 30.91 0.06 59.02 7.31 0.48 0.01 0.07 0.00 32.72 0.40 94 T E E 28.42 17.90 19.71 37.07 127.56 -95.22 -120.21 143.25 13.07 86.92 0.01 12.29 0.37 0.02 0.00 0.00 0.00 87.07 0.25 95 K E E 96.45 9.39 24.42 33.98 118.92 -138.22 -101.24 131.82 0.91 99.09 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.10 0.04 96 L E E 9.57 24.46 15.22 39.95 122.18 -163.32 -113.48 133.77 1.05 98.95 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.92 0.02 97 T E E 58.60 6.73 24.35 31.57 120.43 -160.31 -113.11 131.42 1.85 98.14 0.00 1.87 0.04 0.00 0.00 0.00 0.00 98.00 0.09 98 V E E 28.24 19.64 12.81 32.23 115.23 -146.68 -97.84 125.72 10.08 89.90 0.01 10.46 0.15 0.02 0.00 0.00 0.00 88.71 0.65 99 L C C 79.99 7.93 19.05 27.63 112.33 -156.14 -93.11 124.81 99.27 0.73 0.00 99.34 0.04 0.01 0.00 0.00 0.00 0.61 0.01