# 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 111.28 5.43 18.94 25.48 116.63 -158.74 -98.83 130.10 99.21 0.78 0.01 99.28 0.06 0.01 0.00 0.00 0.00 0.63 0.02 1 V C C 45.75 17.61 11.39 28.22 120.07 -160.18 -108.03 131.65 54.55 45.16 0.29 53.74 0.46 0.26 0.09 0.11 0.00 44.12 1.23 2 Q E E 101.50 5.04 19.51 25.59 119.96 -162.31 -110.77 132.37 30.48 68.89 0.62 27.09 2.31 0.66 0.25 0.36 0.00 67.52 1.81 3 L E E 54.53 17.53 12.53 29.40 120.43 -157.49 -106.91 133.49 32.47 66.76 0.77 29.30 2.22 0.62 0.30 0.44 0.00 65.17 1.96 4 Q E E 89.30 8.09 18.03 27.11 120.78 -165.63 -111.40 136.08 45.26 53.83 0.92 36.80 6.69 1.47 0.27 0.66 0.00 52.15 1.96 5 Q C C 90.60 10.96 15.08 26.53 120.92 -150.08 -106.17 134.78 69.16 30.00 0.84 50.37 15.42 2.69 0.17 0.71 0.00 29.28 1.34 6 S C C 63.04 8.89 16.46 25.83 112.48 -126.81 -79.47 140.68 80.05 18.45 1.50 37.52 24.53 17.80 0.15 1.49 0.00 17.64 0.87 7 G C C 35.15 9.31 17.42 26.99 117.55 -62.44 104.63 -20.07 74.54 24.09 1.36 29.49 29.06 16.32 0.12 1.40 0.00 22.70 0.91 8 A C C 45.95 14.30 16.22 30.05 121.96 -73.44 -103.15 143.88 56.35 42.72 0.92 44.25 8.84 2.14 0.11 0.86 0.00 43.06 0.74 9 E E E 67.38 13.74 19.93 33.36 127.70 -166.64 -124.65 140.34 17.34 82.41 0.25 14.53 2.63 0.45 0.07 0.18 0.00 81.41 0.73 10 L E E 75.51 12.77 21.99 34.16 117.99 -134.72 -96.44 131.09 8.35 91.57 0.08 7.39 0.83 0.08 0.03 0.04 0.00 91.08 0.55 11 A E E 9.12 21.72 15.16 36.68 130.55 -174.92 -126.97 149.35 13.58 86.38 0.04 12.81 0.68 0.04 0.03 0.02 0.00 82.05 4.37 12 R C C 122.61 4.91 23.92 29.18 121.80 -125.46 -95.38 147.93 92.75 7.23 0.02 91.96 1.05 0.07 0.01 0.01 0.00 6.36 0.55 13 P C T 63.56 13.55 14.48 28.22 109.83 -86.50 -59.05 136.50 99.38 0.42 0.19 0.21 2.09 97.27 0.01 0.12 0.00 0.25 0.05 14 G C T 48.47 3.78 19.93 24.42 95.91 23.37 87.85 -5.75 99.60 0.25 0.15 0.33 2.36 97.01 0.01 0.10 0.00 0.18 0.01 15 A C C 34.95 11.17 16.19 28.52 122.79 123.80 -81.88 157.86 92.77 7.15 0.07 78.50 13.97 0.26 0.01 0.07 0.00 6.59 0.60 16 S E E 56.63 9.81 20.20 30.64 126.49 -136.33 -114.62 146.46 47.13 52.84 0.02 46.73 0.65 0.04 0.00 0.01 0.00 51.81 0.75 17 V E E 12.44 22.48 15.88 38.32 127.11 -166.02 -127.31 140.50 1.65 98.34 0.00 1.61 0.04 0.00 0.00 0.00 0.00 98.28 0.07 18 K E E 107.13 7.23 24.85 32.87 117.77 -145.99 -105.97 128.57 0.59 99.40 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 19 L E E 5.85 25.45 16.27 42.21 123.60 -170.13 -117.71 136.13 2.45 97.54 0.01 2.35 0.08 0.01 0.00 0.00 0.00 97.51 0.06 20 S E E 39.54 9.66 26.45 36.54 127.54 -166.32 -118.22 144.56 13.62 86.32 0.06 12.17 0.82 0.08 0.01 0.03 0.00 86.72 0.16 21 C E E 6.85 24.80 16.16 41.02 131.99 -174.93 -137.28 147.93 21.41 78.45 0.14 19.20 1.73 0.18 0.04 0.08 0.00 78.33 0.45 22 K E E 103.64 6.57 26.34 33.66 120.83 -158.73 -114.61 132.04 13.88 85.91 0.21 12.55 1.26 0.24 0.09 0.12 0.00 83.32 2.42 23 A E E 9.53 24.05 13.69 37.36 119.01 -167.03 -112.01 130.08 35.51 64.00 0.49 32.67 2.06 0.49 0.16 0.34 0.00 60.62 3.65 24 S C C 60.01 6.58 21.35 28.47 119.26 -163.95 -110.98 143.27 69.73 29.45 0.83 45.24 18.47 6.71 0.12 0.93 0.00 26.88 1.65 25 G C S 49.69 3.81 20.50 24.74 99.08 13.74 83.62 -2.15 87.29 11.52 1.19 15.57 56.25 15.25 0.09 1.21 0.00 10.60 1.02 26 Y C C 56.49 18.41 13.07 30.63 121.88 106.38 -103.21 140.71 86.09 12.41 1.50 46.79 29.87 9.96 0.18 1.69 0.00 9.46 2.04 27 T C C 73.00 7.28 21.91 29.66 113.29 -169.52 -107.14 85.79 88.47 10.52 1.01 66.86 14.80 6.51 0.15 1.15 0.00 8.21 2.32 28 F C C 35.81 19.91 14.95 34.08 123.19 124.51 -112.41 140.56 82.69 16.42 0.89 70.04 9.89 2.27 0.20 0.85 0.00 11.44 5.32 29 T C S 71.74 7.72 22.07 30.05 100.98 -162.57 -93.86 -22.11 88.30 11.28 0.42 19.14 57.96 10.64 0.04 0.43 0.00 10.94 0.84 30 F C E 74.77 10.90 22.39 33.50 130.06 25.97 -136.55 140.19 62.85 36.70 0.45 21.77 31.06 10.84 0.04 0.50 0.00 34.68 1.12 31 Y E E 17.74 22.96 18.67 41.05 133.60 137.03 -136.91 149.00 38.75 61.18 0.08 33.81 3.78 0.23 0.01 0.07 0.00 61.53 0.58 32 W E E 37.70 16.04 27.00 42.97 127.55 -158.38 -122.85 142.61 7.78 92.21 0.01 7.43 0.28 0.01 0.00 0.00 0.00 92.06 0.21 33 M E E 2.78 26.57 22.29 49.17 125.05 -163.82 -119.64 135.71 1.02 98.98 0.00 0.96 0.03 0.00 0.00 0.00 0.00 98.99 0.02 34 Q E E 23.50 18.00 28.13 45.46 128.28 -171.78 -124.39 142.99 0.42 99.58 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 35 W E E 6.59 24.80 22.90 47.69 122.99 -153.55 -111.36 139.07 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.00 36 L E E 12.75 19.21 24.19 43.12 131.27 -172.29 -128.35 147.61 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 37 K E E 48.77 15.29 22.73 37.68 122.39 -154.20 -112.39 135.87 0.61 99.39 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.45 0.01 38 Q E E 56.36 14.09 17.06 31.50 116.36 -142.72 -100.44 129.40 4.41 95.58 0.01 3.97 0.22 0.01 0.00 0.00 0.00 95.50 0.29 39 R C C 89.34 8.72 15.03 25.17 118.82 -146.25 -93.47 142.31 77.85 22.04 0.10 75.85 1.20 0.17 0.02 0.07 0.00 22.10 0.59 40 P C T 96.90 4.77 12.11 18.83 109.69 -91.30 -58.59 135.53 95.54 0.25 4.20 0.39 3.06 91.65 0.05 4.66 0.00 0.14 0.05 41 G C T 69.04 0.35 13.03 11.08 95.99 15.06 81.90 -3.56 95.55 0.09 4.35 0.41 2.95 91.58 0.06 4.91 0.00 0.05 0.03 42 Q C T 110.71 4.16 12.18 17.87 106.72 74.25 -107.14 -6.11 88.70 3.45 7.85 11.54 35.93 39.83 0.28 9.42 0.00 2.20 0.81 43 G C C 30.21 4.94 17.10 23.32 127.17 -118.62 91.93 -168.23 73.91 25.92 0.17 58.10 13.94 1.64 0.03 0.18 0.00 24.92 1.20 44 L E E 50.95 17.40 13.54 30.58 116.06 -25.69 -78.00 137.60 26.97 73.01 0.02 24.61 1.02 0.07 0.00 0.02 0.00 74.09 0.20 45 E E E 76.43 9.69 21.90 32.05 126.94 -170.41 -124.78 140.60 2.07 97.92 0.00 1.78 0.12 0.01 0.00 0.00 0.00 98.07 0.03 46 W E E 93.19 15.77 19.71 34.98 110.74 -113.32 -71.95 128.06 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 47 I E E 11.56 21.19 21.24 42.69 100.80 175.95 -101.44 -25.76 2.69 97.31 0.01 1.66 0.73 0.14 0.00 0.00 0.00 97.44 0.02 48 G E E 2.28 19.29 23.83 43.50 145.26 -42.06 169.37 173.98 1.61 98.39 0.00 1.01 0.30 0.05 0.00 0.00 0.00 98.63 0.01 49 A E E 20.06 16.30 25.72 41.88 133.64 -99.00 -139.11 148.87 1.70 98.29 0.01 1.50 0.09 0.00 0.00 0.00 0.00 98.37 0.04 50 I E E 8.39 22.91 18.71 42.14 119.84 -144.78 -113.22 128.98 3.86 96.13 0.02 3.49 0.29 0.02 0.01 0.01 0.00 95.02 1.18 51 Y C C 68.81 9.16 23.17 33.22 110.81 -155.04 -105.38 114.05 59.12 40.82 0.06 55.32 2.54 0.20 0.01 0.05 0.00 41.03 0.86 52 P C T 39.82 17.79 13.82 31.21 97.13 -148.41 -63.74 -22.08 90.73 1.13 8.14 3.19 7.23 79.02 0.19 9.28 0.00 0.88 0.21 53 G C T 56.38 2.72 17.10 20.50 97.17 49.74 -74.73 -19.51 91.12 0.42 8.46 1.47 6.31 81.91 0.19 9.71 0.00 0.26 0.13 54 D C T 94.74 3.00 15.37 18.87 102.84 37.93 -105.00 -4.69 88.98 1.13 9.89 5.70 13.12 68.38 0.29 11.43 0.00 0.72 0.36 55 G C C 39.48 9.10 13.07 23.06 98.89 -118.38 81.07 4.04 93.03 5.48 1.50 37.65 23.71 31.91 0.19 1.46 0.00 4.23 0.86 56 D C C 85.73 4.20 18.78 23.83 117.03 128.13 -82.37 143.33 73.10 26.36 0.54 56.00 13.65 3.00 0.08 0.61 0.00 24.63 2.02 57 T E E 45.15 18.97 11.89 29.70 122.85 -149.70 -113.36 138.90 36.95 62.76 0.29 33.21 2.63 0.47 0.09 0.22 0.00 59.69 3.69 58 R E E 123.48 5.43 23.06 29.22 124.20 -171.86 -123.58 135.81 21.75 78.08 0.16 17.27 4.67 0.38 0.06 0.11 0.00 75.04 2.47 59 Y E E 64.63 19.75 13.17 31.73 121.87 -139.17 -101.10 140.95 29.52 70.35 0.13 26.61 2.28 0.13 0.08 0.07 0.00 59.44 11.39 60 T C C 33.66 11.96 14.25 27.51 117.07 -120.43 -78.01 153.41 94.79 5.15 0.06 94.82 0.69 0.07 0.02 0.02 0.00 3.85 0.53 61 Q H G 139.31 1.91 16.23 18.81 91.50 -109.59 -60.02 -34.75 40.86 0.13 59.01 0.80 2.61 38.76 12.25 45.42 0.01 0.07 0.08 62 R H G 141.98 3.82 17.26 22.16 90.94 59.75 -68.05 -26.07 40.27 0.08 59.65 0.39 1.64 40.60 9.29 47.98 0.00 0.04 0.05 63 F H G 12.23 21.78 10.14 31.91 98.57 39.00 -106.08 1.11 40.53 0.23 59.24 1.35 2.68 37.00 10.37 48.34 0.01 0.13 0.13 64 K C T 106.40 11.59 14.26 26.38 94.54 106.30 -59.01 -37.62 62.89 0.60 36.51 2.88 2.59 58.83 13.76 21.10 0.02 0.33 0.49 65 D C T 128.72 0.78 19.44 18.10 93.39 39.29 -74.35 -4.55 69.64 0.19 30.18 0.69 2.07 70.36 7.50 19.13 0.01 0.11 0.14 66 K C T 89.96 10.37 17.09 27.85 100.23 48.92 -102.09 -10.99 70.73 0.57 28.69 2.98 7.36 60.87 6.95 21.19 0.01 0.38 0.26 67 A E E 7.12 23.97 11.66 35.14 133.73 52.62 -130.23 152.01 45.17 54.06 0.77 34.17 10.90 1.03 0.41 0.41 0.01 50.78 2.29 68 T E E 66.03 6.06 26.29 33.02 127.67 -164.77 -128.91 142.10 7.34 92.57 0.10 6.75 0.51 0.09 0.04 0.05 0.00 91.59 0.97 69 L E E 20.34 24.25 14.53 38.36 122.69 -159.61 -118.14 133.21 6.45 93.51 0.05 6.08 0.31 0.04 0.01 0.02 0.00 93.28 0.25 70 T E E 65.69 5.77 26.56 32.92 124.47 -174.72 -127.38 137.05 7.06 92.90 0.04 6.10 0.72 0.08 0.01 0.02 0.00 92.88 0.20 71 A E E 23.06 22.32 12.50 33.78 123.89 -165.19 -118.51 135.34 10.37 89.49 0.14 8.80 1.45 0.22 0.04 0.10 0.00 87.87 1.52 72 D E E 65.02 6.37 19.94 27.16 108.51 -149.16 -100.86 111.21 40.23 59.64 0.13 37.87 1.55 0.24 0.03 0.10 0.00 58.30 1.91 73 K C T 115.44 10.41 13.68 25.19 93.15 -162.04 -65.50 -28.35 92.46 0.62 6.91 1.89 6.70 82.94 0.21 7.68 0.00 0.44 0.15 74 S C T 88.87 1.39 18.21 18.84 92.81 55.79 -74.22 -28.69 92.39 0.35 7.26 0.99 5.63 85.03 0.23 7.81 0.00 0.20 0.10 75 S C T 48.90 7.93 17.00 25.71 101.46 33.21 -100.28 -6.89 92.51 0.47 7.02 3.33 12.92 74.68 0.23 8.39 0.00 0.32 0.14 76 S C T 31.38 16.12 16.99 33.14 95.47 -133.33 62.14 30.64 98.27 1.19 0.54 23.47 16.96 57.84 0.07 0.50 0.00 0.98 0.17 77 T E E 30.81 12.21 23.49 36.82 127.66 126.08 -117.65 147.34 29.75 70.20 0.06 25.47 3.55 0.32 0.01 0.05 0.00 68.91 1.68 78 A E E 2.65 25.50 19.07 45.13 127.43 -167.20 -125.80 140.85 3.87 96.13 0.01 3.56 0.19 0.02 0.00 0.00 0.00 96.05 0.18 79 Y E E 50.67 13.61 27.59 41.65 123.96 -161.18 -118.65 134.89 1.93 98.07 0.00 1.69 0.09 0.00 0.00 0.00 0.00 98.20 0.02 80 I E E 2.55 26.51 20.45 47.81 120.98 -164.51 -115.17 129.41 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.01 81 Q E E 58.30 11.31 27.82 39.65 118.50 -161.52 -110.72 126.84 0.28 99.72 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.69 0.02 82 L E E 5.53 25.27 17.13 43.03 117.02 -166.29 -112.21 124.65 13.14 86.85 0.01 13.35 0.17 0.01 0.00 0.01 0.00 85.77 0.69 83 S C S 46.66 8.34 23.60 31.98 121.12 -165.00 -102.82 158.22 92.33 7.40 0.27 38.51 39.78 13.23 0.01 0.38 0.00 7.76 0.32 84 S C S 64.37 5.31 24.76 30.32 98.35 10.86 58.70 59.91 97.86 1.98 0.16 16.27 67.66 13.84 0.01 0.22 0.00 1.77 0.24 85 L C C 10.70 25.29 11.50 36.90 112.82 -157.36 -75.14 132.13 98.60 1.37 0.03 97.25 1.46 0.05 0.01 0.02 0.00 0.61 0.60 86 A C C 41.74 6.04 24.74 30.76 134.26 169.70 -127.39 168.93 96.76 3.13 0.11 93.34 2.80 0.05 0.04 0.04 0.00 0.59 3.14 87 S H G 57.62 12.81 16.73 29.51 91.37 -95.13 -61.04 -31.47 7.43 0.06 92.50 0.50 0.72 5.34 0.89 92.51 0.00 0.04 0.01 88 E H G 124.01 4.14 22.56 27.39 90.77 61.56 -71.69 -17.84 6.31 0.09 93.60 0.38 0.55 4.66 0.80 93.53 0.00 0.07 0.01 89 D H G 14.11 21.28 17.34 38.63 95.50 59.11 -88.34 -0.04 7.24 0.14 92.61 1.80 1.07 3.09 1.03 92.89 0.00 0.10 0.01 90 S C C 21.20 18.63 21.26 39.70 117.28 108.11 -78.26 136.62 93.67 5.58 0.75 88.96 4.45 0.52 0.13 0.53 0.00 4.92 0.49 91 A E E 10.34 19.63 24.79 43.48 143.09 155.80 -156.68 169.15 8.71 91.15 0.14 7.84 0.93 0.14 0.05 0.08 0.00 89.81 1.15 92 V E E 22.95 18.65 26.37 44.38 119.25 -108.30 -104.88 132.18 1.73 98.25 0.02 1.69 0.09 0.01 0.00 0.01 0.00 98.14 0.07 93 Y E E 6.05 25.40 23.53 48.61 122.64 -165.63 -114.55 136.78 1.30 98.66 0.03 1.20 0.08 0.02 0.01 0.01 0.00 98.63 0.04 94 Y E E 23.20 20.29 28.01 47.27 129.17 -170.84 -125.34 144.68 2.81 97.02 0.16 2.35 0.26 0.08 0.04 0.06 0.00 97.12 0.10 95 C E E 3.02 25.53 24.92 49.93 128.33 -166.08 -126.93 142.58 13.16 86.14 0.70 10.75 1.81 0.52 0.21 0.31 0.00 85.94 0.45 96 A E E 10.19 19.76 26.44 45.40 132.01 -173.52 -130.06 150.22 25.44 73.10 1.47 20.52 4.31 1.58 0.49 0.85 0.00 71.03 1.21 97 G E E 10.24 19.48 22.03 40.37 129.93 -167.62 -125.11 162.51 47.09 50.20 2.71 34.17 10.49 4.55 0.74 1.93 0.01 46.26 1.86 98 G C C 19.78 13.86 20.92 34.41 127.16 155.69 -130.37 -175.58 60.66 32.73 6.60 31.24 20.04 12.55 1.25 5.05 0.05 27.31 2.50 99 E C C 104.72 8.28 19.26 27.75 107.40 -74.98 -88.43 76.92 67.49 23.90 8.61 32.15 21.05 17.03 1.63 6.57 0.05 18.42 3.10 100 Y C C 105.16 11.14 14.97 26.29 108.88 62.06 -96.54 82.98 72.59 16.76 10.65 31.93 21.98 21.05 2.34 7.70 0.06 11.34 3.59 101 D C C 81.25 7.83 14.57 23.23 111.42 106.64 -97.38 113.18 83.37 7.51 9.12 30.20 24.78 29.62 1.80 6.78 0.02 4.69 2.11 102 N C T 103.64 6.00 15.01 21.95 100.68 -36.18 -79.80 0.39 84.89 4.57 10.54 24.10 27.26 34.46 1.96 7.92 0.01 2.64 1.63 103 Y C T 123.16 8.60 15.64 24.73 103.84 53.94 -93.87 15.45 81.45 8.40 10.15 27.16 25.10 30.71 2.20 7.22 0.03 5.03 2.55 104 G C C 27.26 11.83 17.89 29.76 115.81 -104.16 102.33 166.54 79.51 13.50 6.99 35.51 25.21 20.35 1.51 5.21 0.02 9.31 2.87 105 F C C 52.57 18.38 16.29 33.69 119.75 -109.92 -106.85 134.19 69.17 23.75 7.08 46.83 13.55 9.05 2.24 4.94 0.02 18.59 4.78 106 D C C 57.65 12.61 22.12 34.42 118.67 -160.94 -104.27 130.32 62.97 29.44 7.60 41.83 12.79 9.29 2.40 5.04 0.04 25.16 3.45 107 Y C E 66.20 17.60 19.83 36.33 116.70 -161.89 -106.24 123.95 50.72 41.22 8.05 30.96 11.65 10.16 3.20 4.95 0.12 33.00 5.97 108 W C C 69.10 17.06 19.88 35.92 112.12 -170.78 -103.70 106.16 55.99 37.07 6.95 28.82 12.92 16.40 2.63 4.21 0.15 27.42 7.46 109 G C C 21.40 15.03 19.65 33.66 119.85 -129.29 89.07 -162.37 77.03 18.32 4.65 31.72 23.74 23.09 0.97 3.46 0.02 14.48 2.52 110 Q C S 104.81 8.37 21.65 29.90 102.45 -46.00 -83.96 27.18 79.13 16.11 4.76 24.03 30.30 26.04 0.88 3.57 0.02 12.93 2.23 111 G C C 21.70 14.63 19.27 33.15 119.99 -90.73 96.29 175.27 76.85 21.70 1.45 37.31 23.58 15.99 0.16 1.40 0.00 20.51 1.05 112 T E E 22.86 20.47 18.02 37.73 121.54 -119.01 -108.25 136.24 36.03 63.79 0.19 30.96 3.85 0.50 0.04 0.16 0.00 63.64 0.86 113 T E E 59.71 9.81 25.00 35.03 120.43 -151.03 -109.23 131.41 5.50 94.47 0.03 4.79 0.54 0.07 0.01 0.02 0.00 94.33 0.24 114 L E E 13.55 23.89 16.29 40.21 121.49 -165.19 -115.53 129.95 2.10 97.89 0.01 1.95 0.15 0.02 0.00 0.01 0.00 97.79 0.08 115 T E E 57.72 7.67 25.36 33.40 121.41 -163.28 -113.88 132.73 2.54 97.45 0.01 2.39 0.16 0.03 0.00 0.01 0.00 97.23 0.17 116 V E E 21.48 21.58 13.13 34.19 119.36 -159.02 -107.34 131.16 12.28 87.67 0.06 11.01 0.89 0.14 0.02 0.04 0.00 87.09 0.81 117 S C C 54.84 6.13 18.37 25.27 127.20 -170.67 -115.13 158.50 52.15 47.77 0.08 49.34 1.34 0.23 0.02 0.06 0.00 47.91 1.11 118 S C C 76.15 5.69 16.22 23.14 110.31 -95.86 -75.21 137.16 99.52 0.48 0.01 99.46 0.13 0.02 0.00 0.00 0.00 0.37 0.01