# 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 108.98 6.13 20.22 27.08 120.68 -155.85 -106.07 134.86 99.10 0.90 0.00 99.16 0.06 0.01 0.00 0.00 0.00 0.76 0.01 1 V E E 33.57 20.21 11.82 31.05 121.35 -159.78 -111.76 132.44 39.84 60.10 0.06 39.87 0.33 0.06 0.02 0.03 0.00 59.06 0.63 2 H E E 98.65 5.56 22.48 28.58 120.93 -161.64 -112.12 134.66 12.81 87.10 0.10 11.87 0.75 0.13 0.03 0.05 0.00 86.71 0.46 3 L E E 44.06 20.55 13.99 33.57 120.24 -153.25 -105.23 132.72 11.89 87.94 0.17 11.28 0.53 0.11 0.06 0.08 0.00 87.55 0.38 4 V E E 55.56 9.96 21.33 31.98 124.27 -169.71 -120.41 137.00 16.39 83.29 0.33 14.77 1.27 0.27 0.11 0.17 0.00 82.83 0.58 5 E E E 94.11 12.99 17.92 30.73 117.10 -135.14 -91.43 134.92 29.79 69.41 0.80 24.62 4.30 1.13 0.21 0.58 0.00 68.37 0.79 6 S C C 42.96 13.90 16.90 30.49 105.80 -163.92 -97.07 -2.80 64.06 34.38 1.56 48.03 11.12 3.70 0.21 1.48 0.00 34.52 0.93 7 G C C 40.78 7.92 19.69 27.79 108.50 -118.25 87.39 1.45 75.23 23.83 0.95 36.36 30.18 8.91 0.09 1.01 0.00 22.41 1.04 8 G C C 33.60 11.84 17.76 29.25 124.43 -19.56 113.54 172.83 73.31 26.11 0.58 40.52 26.63 6.27 0.05 0.66 0.00 24.88 0.99 9 G E E 27.65 10.81 19.36 30.30 128.62 120.98 129.57 -167.69 45.13 54.75 0.12 32.98 12.06 0.90 0.01 0.13 0.00 53.04 0.87 10 L E E 83.81 10.63 21.36 31.88 118.61 -59.46 -99.24 132.79 11.10 88.86 0.05 9.17 2.02 0.13 0.01 0.04 0.00 87.56 1.07 11 V E E 21.26 20.47 14.37 34.47 124.64 -169.73 -117.75 138.26 7.74 92.23 0.02 6.99 0.57 0.02 0.02 0.01 0.00 85.51 6.88 12 K C C 113.83 4.51 23.07 27.96 119.96 -128.98 -87.73 148.64 92.08 7.90 0.02 91.85 0.57 0.05 0.00 0.01 0.00 7.07 0.44 13 P C T 70.88 12.08 14.32 26.78 110.04 -87.13 -58.94 137.29 99.27 0.53 0.20 0.35 2.62 96.44 0.01 0.17 0.00 0.36 0.05 14 G C T 51.63 3.04 19.09 22.70 96.64 22.03 87.40 -5.93 99.40 0.42 0.19 0.48 2.96 96.04 0.00 0.16 0.00 0.32 0.03 15 G C C 23.96 8.83 15.98 26.24 128.49 114.19 -90.06 171.47 89.46 10.47 0.07 71.51 17.92 0.30 0.01 0.08 0.00 9.39 0.78 16 S E E 56.98 8.68 20.29 29.97 130.62 -118.12 -127.59 151.72 45.95 54.03 0.02 45.44 0.71 0.04 0.00 0.01 0.00 52.80 1.00 17 L E E 16.00 22.78 15.36 37.91 125.97 -160.09 -123.38 138.96 2.57 97.43 0.00 2.46 0.06 0.00 0.00 0.00 0.00 97.36 0.11 18 R E E 116.01 7.85 25.10 33.69 119.83 -154.27 -113.33 129.01 0.89 99.11 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.11 0.03 19 L E E 6.95 25.30 16.77 42.41 124.13 -169.79 -118.00 135.50 3.29 96.70 0.01 3.08 0.14 0.01 0.00 0.00 0.00 96.69 0.08 20 S E E 39.42 10.10 26.97 37.50 127.90 -166.99 -121.89 144.71 14.00 85.95 0.05 12.50 0.90 0.07 0.01 0.02 0.00 86.34 0.15 21 C E E 5.83 25.12 17.38 42.63 132.48 -173.87 -138.05 147.19 16.26 83.59 0.15 14.68 1.18 0.14 0.05 0.07 0.00 83.37 0.50 22 A E E 39.04 10.10 27.31 37.94 123.34 -159.97 -113.79 138.01 10.95 88.80 0.26 9.97 0.90 0.19 0.14 0.13 0.00 85.29 3.37 23 A E E 7.41 24.49 15.67 39.98 122.57 -166.83 -118.03 130.86 45.17 54.07 0.76 42.07 2.24 0.60 0.20 0.61 0.00 51.69 2.59 24 S C C 59.47 6.91 21.90 29.37 123.46 -164.44 -108.97 143.80 70.14 28.81 1.04 26.68 18.84 26.26 0.10 1.05 0.00 25.60 1.46 25 G C S 50.18 3.40 21.37 25.14 97.28 17.45 81.57 2.33 87.09 12.03 0.87 19.95 36.84 30.47 0.06 1.01 0.00 10.65 1.01 26 F C C 40.88 20.90 10.97 30.58 118.26 135.26 -89.53 135.48 86.04 13.04 0.92 66.10 14.86 4.66 0.16 1.02 0.00 9.91 3.30 27 T C C 84.41 4.71 21.97 27.03 105.22 -171.33 -107.42 6.67 89.82 9.43 0.75 61.81 20.61 7.32 0.12 0.83 0.00 6.57 2.74 28 F C C 53.51 17.04 13.59 30.03 121.51 100.64 -103.81 141.78 85.39 12.80 1.80 46.32 30.71 8.87 0.31 1.76 0.00 7.84 4.19 29 S C S 71.17 5.40 18.87 25.02 99.69 -153.80 -85.18 -20.50 88.88 9.91 1.21 17.22 51.58 20.07 0.10 1.27 0.00 8.68 1.08 30 N C C 88.71 5.45 21.38 27.24 119.21 24.35 -124.44 115.98 73.36 25.31 1.33 30.44 25.71 17.51 0.10 1.51 0.00 23.76 0.97 31 Y E E 24.76 22.04 14.49 35.96 130.20 132.14 -123.87 149.53 40.26 59.63 0.10 34.76 4.39 0.31 0.01 0.09 0.00 59.80 0.64 32 A E E 28.91 10.99 26.76 38.50 128.60 -160.99 -126.29 146.13 5.51 94.48 0.01 5.10 0.24 0.01 0.00 0.00 0.00 94.46 0.17 33 M E E 4.86 26.22 18.85 45.52 126.84 -162.18 -127.34 138.91 1.00 99.00 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.05 0.02 34 N E E 32.15 14.13 27.92 42.26 129.10 -173.26 -128.49 143.35 0.60 99.40 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.00 35 W E E 9.58 24.48 21.56 45.98 123.64 -155.48 -114.17 136.29 0.55 99.45 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 36 V E E 17.21 16.52 24.59 41.25 129.86 -172.61 -128.38 142.62 0.38 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 37 R E E 48.58 17.20 21.35 37.94 123.41 -159.79 -114.79 136.80 0.67 99.33 0.00 0.58 0.03 0.00 0.00 0.00 0.00 99.38 0.01 38 Q E E 59.30 12.42 18.54 31.57 117.82 -145.84 -100.20 127.86 5.66 94.33 0.01 5.16 0.26 0.01 0.00 0.01 0.00 94.27 0.28 39 A C C 28.39 10.95 13.86 26.45 117.92 -134.78 -80.31 151.78 81.38 18.48 0.13 78.81 1.55 0.29 0.02 0.10 0.00 18.61 0.62 40 P C T 97.44 4.59 12.81 19.32 108.97 -83.17 -58.71 135.37 96.04 0.25 3.71 0.41 3.49 91.74 0.05 4.10 0.00 0.14 0.06 41 G C T 69.60 0.28 13.19 10.78 96.07 15.23 81.64 -3.56 96.01 0.11 3.88 0.47 3.18 91.90 0.07 4.29 0.00 0.06 0.03 42 K C S 127.55 3.65 11.99 17.20 107.76 77.26 -106.57 -2.74 89.14 4.43 6.43 14.19 41.00 33.11 0.29 7.49 0.00 2.92 0.99 43 G C C 32.51 4.39 16.85 22.38 127.65 -116.49 92.20 -169.11 75.56 24.23 0.21 57.11 16.95 1.66 0.03 0.23 0.00 22.61 1.42 44 L E E 54.79 16.84 13.27 29.77 115.53 -33.11 -76.72 136.85 33.30 66.67 0.03 30.41 1.35 0.10 0.00 0.03 0.00 67.85 0.25 45 Q E E 73.68 9.24 21.75 31.57 127.39 -171.28 -127.15 141.19 3.73 96.26 0.01 3.19 0.32 0.01 0.00 0.00 0.00 96.39 0.07 46 W E E 88.15 16.17 19.26 34.97 110.86 -112.88 -72.58 128.16 0.58 99.42 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 47 V E E 14.36 19.72 21.26 41.07 101.88 175.58 -99.78 -31.21 4.05 95.95 0.00 2.61 1.11 0.04 0.00 0.00 0.00 96.22 0.01 48 S E E 5.43 20.71 22.76 43.54 143.70 -6.55 -160.13 157.50 1.07 98.93 0.00 0.77 0.12 0.01 0.00 0.00 0.00 99.10 0.01 49 S E E 21.83 18.56 24.26 41.91 134.51 -163.92 -142.90 147.52 1.00 99.00 0.00 0.85 0.05 0.00 0.00 0.00 0.00 99.08 0.02 50 I E E 16.24 20.55 20.85 41.14 121.95 -159.82 -118.44 130.38 2.80 97.19 0.01 2.34 0.24 0.02 0.00 0.01 0.00 97.20 0.18 51 T E E 39.88 12.46 21.13 33.90 124.47 -170.02 -116.03 146.76 24.69 75.15 0.16 19.41 4.23 0.81 0.03 0.16 0.00 74.84 0.52 52 G C S 32.28 12.42 16.67 28.96 104.18 -130.43 -82.62 -16.34 76.51 21.90 1.59 27.92 28.68 19.61 0.13 1.64 0.00 21.12 0.89 53 S C T 71.79 4.79 17.70 23.10 104.70 61.28 -91.23 4.18 90.00 6.93 3.07 15.09 35.72 39.36 0.22 3.14 0.00 5.42 1.04 54 S C T 55.97 9.06 13.80 23.53 116.33 34.90 -105.14 142.06 94.68 2.24 3.08 15.21 37.70 41.52 0.20 3.34 0.00 1.47 0.55 55 S C S 76.84 5.41 16.33 22.66 100.74 -126.34 -91.07 -1.62 91.11 6.78 2.11 21.27 42.33 27.71 0.17 2.18 0.00 5.51 0.82 56 F C C 94.87 8.37 18.13 27.27 121.83 83.57 -111.78 136.46 57.79 41.68 0.52 43.32 11.89 2.23 0.09 0.50 0.00 40.65 1.32 57 I E E 48.83 17.94 15.25 32.68 120.41 -154.32 -109.52 130.77 21.49 78.45 0.06 19.34 1.52 0.15 0.01 0.04 0.00 78.27 0.66 58 F E E 68.57 11.82 22.48 34.54 122.39 -167.71 -118.22 133.42 5.57 94.40 0.03 4.91 0.49 0.05 0.01 0.01 0.00 93.81 0.71 59 Y E E 68.58 17.97 17.83 34.82 127.37 -161.79 -119.80 144.49 13.77 86.16 0.07 12.74 0.82 0.09 0.03 0.04 0.00 84.49 1.79 60 A C C 14.99 17.39 14.20 32.15 113.83 -110.92 -69.68 143.86 89.80 9.83 0.36 86.75 2.52 0.36 0.09 0.22 0.00 9.46 0.59 61 D H G 112.95 2.41 18.53 21.79 92.42 -121.99 -61.04 -31.92 38.34 0.64 61.02 2.74 5.33 28.59 2.27 60.48 0.00 0.42 0.17 62 S H G 60.97 7.00 17.80 25.87 90.89 62.57 -70.54 -18.28 37.76 0.30 61.94 1.14 3.22 31.85 1.96 61.56 0.00 0.18 0.09 63 V H G 8.83 22.55 10.92 33.58 97.88 45.37 -101.72 -0.83 37.29 1.10 61.61 3.29 4.92 28.06 2.59 60.06 0.01 0.73 0.34 64 K C T 123.85 7.04 15.13 24.65 110.24 123.64 -60.38 130.37 93.38 2.63 3.99 3.08 4.24 86.62 0.97 2.32 0.00 1.33 1.45 65 G C T 61.55 1.37 18.73 19.21 94.34 14.69 80.98 -2.95 95.87 0.47 3.66 0.83 4.19 91.39 0.36 2.77 0.00 0.33 0.13 66 R C T 86.49 12.28 17.31 29.83 100.79 74.59 -100.00 -20.05 94.28 2.19 3.52 8.06 21.14 64.99 0.40 3.03 0.00 2.14 0.24 67 F E E 9.31 24.10 12.77 37.17 134.55 36.66 -136.15 150.78 11.09 88.85 0.06 8.90 2.07 0.14 0.02 0.04 0.00 87.38 1.46 68 T E E 60.66 6.58 26.55 33.74 125.97 -162.60 -124.09 140.03 1.97 98.02 0.00 1.88 0.06 0.00 0.00 0.00 0.00 97.99 0.06 69 I E E 18.00 24.36 14.68 38.99 121.70 -160.96 -117.74 128.65 1.95 98.04 0.00 1.91 0.03 0.00 0.00 0.00 0.00 98.02 0.03 70 V E E 68.93 6.04 25.72 32.07 125.22 -174.41 -124.06 138.25 3.04 96.96 0.00 2.84 0.08 0.00 0.00 0.00 0.00 97.03 0.04 71 R E E 78.20 18.64 13.37 31.08 119.54 -151.17 -106.23 130.26 5.55 94.43 0.02 4.91 0.45 0.04 0.00 0.01 0.00 94.33 0.25 72 D E E 57.22 6.55 17.30 25.50 109.07 -159.91 -109.63 105.42 20.13 79.78 0.08 19.21 0.80 0.11 0.03 0.05 0.00 78.34 1.46 73 N C T 95.25 7.90 12.53 22.26 93.48 -168.54 -67.26 -27.71 82.55 0.43 17.02 1.69 5.58 72.10 0.31 19.94 0.00 0.27 0.11 74 A C T 91.15 1.01 15.31 15.49 91.79 57.26 -67.49 -35.34 81.84 0.38 17.77 0.86 4.86 73.40 0.29 20.26 0.00 0.22 0.11 75 Q C T 99.83 4.27 15.61 20.79 97.08 32.96 -95.51 -4.90 84.04 0.14 15.82 1.04 5.29 74.49 0.23 18.82 0.00 0.07 0.05 76 N C T 60.81 12.01 15.60 28.83 93.87 -126.78 57.19 41.96 99.49 0.16 0.35 5.07 4.45 90.04 0.04 0.26 0.00 0.12 0.02 77 S E E 18.30 12.99 21.14 35.32 137.52 125.32 -137.65 159.34 11.93 88.05 0.02 10.38 1.18 0.10 0.00 0.02 0.00 86.95 1.38 78 L E E 6.16 24.21 18.98 43.69 122.12 -144.46 -117.65 135.09 2.24 97.75 0.00 2.11 0.07 0.00 0.00 0.00 0.00 97.71 0.11 79 Y E E 49.68 13.40 26.78 40.56 122.23 -161.82 -116.04 133.86 2.23 97.77 0.00 2.06 0.06 0.00 0.00 0.00 0.00 97.87 0.01 80 L E E 3.59 25.89 20.00 46.55 120.16 -163.29 -111.35 129.88 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 81 Q E E 55.89 11.43 27.25 39.11 119.31 -162.13 -111.42 127.92 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.01 82 M E E 8.56 24.45 16.98 41.76 119.64 -165.74 -114.12 128.30 13.84 86.16 0.00 14.09 0.10 0.00 0.00 0.00 0.00 85.20 0.61 83 N C S 67.30 8.01 22.90 31.10 119.54 -156.19 -94.40 155.49 95.78 4.15 0.07 43.87 44.63 6.50 0.00 0.12 0.00 4.68 0.19 84 S C S 58.99 6.09 24.12 30.42 99.12 10.03 59.74 59.41 98.94 1.01 0.05 13.35 77.46 8.14 0.00 0.07 0.00 0.83 0.14 85 L C C 16.52 24.27 11.35 35.33 113.41 -154.08 -74.23 133.54 98.92 1.07 0.01 98.10 1.02 0.02 0.00 0.00 0.00 0.36 0.49 86 R C C 99.29 4.92 24.04 29.01 132.82 173.30 -126.23 163.92 98.47 1.49 0.04 97.43 0.95 0.01 0.01 0.01 0.00 0.25 1.32 87 D H G 82.90 11.35 16.28 27.90 91.07 -100.86 -60.08 -31.87 4.49 0.03 95.48 0.23 0.30 2.94 0.31 96.21 0.00 0.02 0.00 88 E H G 117.71 4.80 21.62 27.10 90.82 62.42 -72.49 -15.96 3.73 0.03 96.24 0.16 0.23 2.52 0.28 96.80 0.00 0.02 0.00 89 D H G 12.09 21.73 16.45 38.40 94.50 63.55 -85.76 -1.62 4.99 0.06 94.95 1.01 0.57 1.87 0.41 96.09 0.00 0.04 0.00 90 T C C 29.99 17.17 21.91 38.94 115.73 109.20 -81.24 134.00 93.69 6.07 0.24 91.15 2.79 0.14 0.03 0.18 0.00 5.41 0.29 91 A E E 9.48 19.98 23.73 42.90 141.91 163.02 -150.00 168.20 4.37 95.62 0.01 4.12 0.24 0.02 0.00 0.01 0.00 95.08 0.53 92 V E E 22.18 18.17 26.11 43.81 119.59 -109.94 -106.42 132.37 0.68 99.32 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.02 93 Y E E 7.64 24.80 23.18 47.68 122.62 -163.30 -111.67 136.09 0.45 99.55 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.01 94 Y E E 21.71 20.20 27.46 46.60 130.86 -171.59 -126.89 147.73 1.48 98.51 0.01 1.23 0.10 0.02 0.00 0.00 0.00 98.60 0.05 95 C E E 3.79 24.53 24.09 48.28 126.70 -158.16 -123.51 141.86 7.76 92.09 0.15 6.26 1.03 0.18 0.03 0.08 0.00 92.19 0.24 96 A E E 8.20 19.47 24.65 43.82 129.18 -162.69 -123.61 146.57 10.02 89.59 0.40 8.80 0.95 0.25 0.12 0.19 0.00 88.99 0.69 97 R E E 49.31 17.07 21.21 37.82 124.53 -156.10 -115.92 139.83 20.27 79.07 0.66 16.98 3.25 0.79 0.26 0.37 0.00 76.06 2.30 98 E E E 61.52 11.82 17.81 30.39 117.38 -143.54 -100.46 132.03 48.74 50.25 1.01 39.88 7.05 1.77 0.26 0.72 0.00 48.93 1.39 99 R C C 116.19 8.82 14.37 24.08 107.00 -151.88 -88.23 93.20 72.70 23.24 4.06 45.76 17.36 10.41 0.79 3.29 0.01 20.46 1.93 100 D C C 94.53 4.32 13.01 18.61 109.83 70.91 -93.84 104.93 85.32 7.49 7.19 29.52 27.99 28.76 1.10 5.93 0.01 5.03 1.66 101 D C T 103.03 3.53 11.74 16.64 104.09 -34.96 -84.13 20.41 87.71 2.80 9.49 26.16 29.14 32.77 1.45 7.83 0.00 1.49 1.15 102 Y C T 147.20 4.65 10.57 16.67 103.73 54.58 -90.06 13.99 86.19 2.88 10.93 23.53 29.78 33.49 1.92 8.46 0.01 1.45 1.37 103 D C T 94.75 4.93 11.96 18.31 106.30 92.12 -88.50 47.01 87.50 3.78 8.72 26.58 29.19 32.32 1.56 6.85 0.01 2.16 1.34 104 T C C 81.27 6.73 13.23 21.05 103.25 99.28 -89.81 13.79 82.63 9.25 8.12 35.16 27.56 21.13 1.44 6.48 0.01 6.31 1.91 105 R C C 105.60 9.33 15.77 25.89 117.23 108.73 -99.81 134.03 74.59 20.86 4.55 52.03 14.51 7.87 0.91 3.81 0.00 18.71 2.16 106 L C C 47.07 16.13 16.08 31.99 117.47 -144.57 -96.78 133.48 55.40 43.24 1.36 46.49 6.44 2.09 0.38 1.00 0.00 41.37 2.22 107 D E E 55.18 12.75 20.97 33.69 121.70 -157.54 -109.86 134.18 25.20 74.14 0.66 21.33 2.62 0.83 0.33 0.40 0.00 68.43 6.05 108 W E E 54.92 19.63 18.13 36.69 110.72 -158.71 -96.49 105.34 33.93 65.28 0.79 26.77 5.10 2.24 0.37 0.57 0.00 58.12 6.82 109 G C C 18.88 15.55 19.91 34.57 119.57 -145.54 -24.70 -167.52 70.22 29.20 0.59 40.46 23.06 7.65 0.09 0.59 0.00 26.56 1.58 110 Q C C 103.40 7.99 23.29 31.31 98.72 -51.09 -82.38 -0.07 78.34 21.01 0.65 37.53 33.66 7.55 0.08 0.66 0.00 19.23 1.29 111 G C C 13.27 18.47 18.73 35.93 127.92 -123.73 89.15 177.09 74.95 24.81 0.24 54.50 16.56 2.75 0.03 0.27 0.00 25.16 0.72 112 T E E 21.90 18.75 20.90 39.11 124.87 -100.94 -111.85 141.84 18.62 81.34 0.04 16.68 1.40 0.11 0.01 0.03 0.00 81.22 0.55 113 L E E 68.36 11.90 24.64 36.30 116.21 -133.57 -94.42 128.43 1.71 98.29 0.00 1.57 0.09 0.01 0.00 0.00 0.00 98.25 0.09 114 V E E 9.49 23.72 16.73 40.44 122.14 -167.16 -115.29 132.50 1.42 98.58 0.00 1.35 0.08 0.01 0.00 0.00 0.00 98.50 0.05 115 T E E 57.23 8.15 24.53 32.98 120.74 -156.88 -106.06 134.25 4.32 95.67 0.01 4.15 0.17 0.02 0.00 0.00 0.00 95.34 0.32 116 V E E 23.64 21.20 12.69 33.12 118.37 -156.57 -106.49 129.67 36.29 63.67 0.04 35.87 0.39 0.07 0.01 0.02 0.00 62.58 1.06 117 S C C 60.58 6.27 20.56 27.07 117.16 -165.08 -99.41 151.73 99.69 0.30 0.00 99.71 0.06 0.01 0.00 0.00 0.00 0.22 0.01