# 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 G C C 38.43 5.79 15.86 22.75 129.69 -123.44 135.35 168.01 99.86 0.14 0.00 99.64 0.24 0.03 0.00 0.00 0.00 0.08 0.01 1 P C C 94.94 4.52 14.59 20.42 112.55 -51.93 -75.12 145.62 93.14 4.70 2.16 85.51 2.28 5.41 0.61 1.31 0.00 4.11 0.77 2 S C C 60.88 9.39 12.04 22.31 115.39 -146.76 -94.38 137.30 76.34 19.97 3.70 53.98 13.64 7.92 0.96 3.00 0.00 19.06 1.43 3 Q C E 97.13 8.17 16.38 25.57 123.62 -160.60 -117.74 140.47 52.06 44.12 3.82 39.03 9.89 3.67 1.46 2.36 0.01 41.97 1.62 4 M E E 45.36 18.64 13.68 31.67 122.81 -159.72 -114.08 134.97 32.45 65.38 2.17 28.57 2.68 0.82 1.38 0.74 0.00 64.54 1.28 5 Q E E 93.45 6.67 22.64 30.06 121.67 -161.52 -115.99 133.65 22.84 75.54 1.62 20.48 1.56 0.54 1.19 0.43 0.00 74.77 1.05 6 L E E 32.44 21.87 13.42 34.46 121.09 -159.06 -109.22 132.50 24.62 73.71 1.67 22.44 1.41 0.50 1.18 0.45 0.00 72.98 1.03 7 V E E 74.39 7.06 22.29 29.97 121.26 -165.36 -115.34 134.29 29.18 68.83 1.99 24.29 3.47 1.16 1.25 0.72 0.00 67.80 1.31 8 E E E 79.38 14.89 15.61 29.88 119.92 -145.95 -103.78 136.28 43.73 53.40 2.87 31.87 8.53 3.74 1.18 1.63 0.01 51.75 1.30 9 S C C 60.67 9.19 18.34 27.83 107.81 -165.50 -95.56 39.21 67.77 30.37 1.86 35.14 20.28 13.08 0.39 1.47 0.00 28.47 1.17 10 G C S 35.88 9.54 18.65 28.26 117.31 -58.87 115.81 165.02 78.17 20.81 1.02 26.44 35.01 16.47 0.11 1.00 0.00 19.99 0.97 11 G C C 33.45 11.95 17.10 28.82 128.68 -102.79 126.96 177.70 70.84 28.66 0.50 45.40 19.93 4.82 0.07 0.53 0.00 28.36 0.89 12 G E E 26.94 10.65 19.65 30.54 136.23 116.28 151.32 -173.28 30.30 69.57 0.13 23.67 6.18 0.57 0.03 0.11 0.00 68.59 0.85 13 L E E 86.87 10.05 21.74 31.91 122.85 -73.82 -111.25 137.71 7.74 92.19 0.06 6.72 0.88 0.10 0.02 0.03 0.00 91.80 0.44 14 V E E 20.75 20.73 14.70 35.00 127.23 -172.88 -126.05 141.00 5.04 94.91 0.06 4.88 0.29 0.04 0.04 0.02 0.00 92.41 2.32 15 Q C C 94.28 5.16 23.32 28.65 120.96 -133.47 -87.91 149.95 56.03 43.84 0.14 55.91 0.85 0.15 0.06 0.07 0.00 41.26 1.69 16 A C T 54.09 12.82 14.39 27.39 109.41 -86.71 -59.46 136.28 98.14 1.45 0.41 0.41 2.66 95.52 0.02 0.27 0.00 1.02 0.10 17 G C T 50.84 3.19 19.67 23.44 96.29 22.08 87.53 -5.19 99.13 0.62 0.24 0.47 3.35 95.47 0.01 0.19 0.00 0.47 0.04 18 G C C 24.39 8.85 16.57 26.78 128.30 116.11 -89.57 172.31 92.77 7.17 0.06 67.96 24.48 0.33 0.01 0.06 0.00 6.69 0.48 19 S C C 55.93 9.33 20.33 30.57 130.80 -121.71 -125.57 151.11 51.58 48.41 0.02 51.43 0.73 0.03 0.00 0.01 0.00 46.84 0.96 20 L E E 15.23 23.06 15.76 38.67 126.48 -161.05 -125.83 138.65 1.62 98.37 0.00 1.54 0.05 0.00 0.00 0.00 0.00 98.27 0.14 21 R E E 117.36 7.54 25.39 33.74 118.72 -152.56 -110.20 129.11 0.63 99.37 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.37 0.02 22 L E E 5.47 25.97 16.48 43.03 123.30 -170.76 -118.67 134.47 3.50 96.49 0.01 3.26 0.12 0.01 0.00 0.00 0.00 96.49 0.11 23 S E E 41.69 9.30 27.04 36.87 123.99 -163.39 -112.58 141.61 19.91 80.06 0.04 18.06 0.89 0.07 0.01 0.02 0.00 80.76 0.19 24 C E E 6.90 25.14 16.77 41.97 133.59 -171.01 -138.30 147.29 29.27 70.60 0.13 26.82 1.63 0.17 0.04 0.07 0.00 70.59 0.67 25 A E E 42.13 9.36 27.15 37.11 122.95 -158.95 -113.40 137.91 19.65 80.07 0.28 17.80 1.49 0.27 0.13 0.17 0.00 76.15 3.99 26 V E E 15.33 24.00 15.40 39.09 126.74 -170.96 -124.09 139.70 36.02 63.36 0.62 32.17 2.88 0.70 0.21 0.46 0.00 60.50 3.09 27 S C C 57.41 7.36 21.97 29.65 122.44 -161.82 -113.12 142.57 58.15 41.16 0.68 40.16 14.12 4.47 0.12 0.72 0.00 38.74 1.66 28 G C S 36.93 6.44 19.41 26.72 123.41 36.92 118.55 -171.75 76.24 22.74 1.03 29.30 37.38 10.21 0.13 1.04 0.00 20.15 1.80 29 S C C 59.09 8.82 17.15 26.60 116.33 -66.18 -98.12 133.37 78.34 20.01 1.65 53.49 18.80 6.23 0.33 1.59 0.00 16.26 3.30 30 I C C 74.03 12.30 15.66 28.14 105.60 -161.85 -91.48 15.67 82.03 14.97 3.01 40.25 28.36 14.55 0.50 2.70 0.01 11.03 2.60 31 F C C 100.39 10.09 16.93 27.30 110.34 63.23 -98.31 89.35 83.12 13.23 3.65 36.11 30.21 17.88 0.52 3.29 0.00 9.93 2.05 32 S C C 52.81 9.68 17.50 27.58 109.22 94.53 -102.70 23.01 81.85 15.51 2.64 38.15 33.06 11.34 0.33 2.47 0.00 13.15 1.51 33 I C C 78.15 9.32 20.39 29.99 115.34 19.54 -106.48 126.56 61.76 36.49 1.75 39.57 16.94 5.72 0.28 1.59 0.00 34.23 1.66 34 I E E 19.28 21.62 16.40 37.55 124.74 122.78 -113.56 140.09 36.66 63.15 0.19 29.29 6.65 0.64 0.03 0.17 0.00 62.44 0.77 35 T E E 33.75 12.60 26.43 39.52 123.84 -160.13 -117.44 137.83 10.00 89.98 0.03 9.03 0.64 0.05 0.00 0.01 0.00 90.04 0.23 36 L E E 3.57 26.39 20.14 46.95 125.03 -165.61 -119.13 136.80 1.48 98.52 0.00 1.33 0.06 0.00 0.00 0.00 0.00 98.57 0.03 37 A E E 12.69 16.42 27.80 44.34 134.45 -176.80 -133.13 153.44 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 38 W E E 6.69 25.14 22.31 47.50 125.41 -149.09 -116.50 138.84 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 39 Y E E 27.28 16.52 25.48 41.86 133.01 -174.37 -133.43 149.86 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.77 0.00 40 R E E 39.47 18.37 21.42 39.14 123.52 -154.33 -114.36 137.53 0.66 99.34 0.00 0.57 0.03 0.00 0.00 0.00 0.00 99.39 0.01 41 Q E E 49.20 12.89 18.84 32.48 117.94 -147.54 -104.25 130.57 9.38 90.61 0.01 8.76 0.36 0.01 0.00 0.00 0.00 90.35 0.51 42 A C C 27.26 11.13 14.36 27.12 119.00 -132.70 -78.95 152.87 96.77 3.20 0.02 95.74 1.09 0.16 0.00 0.01 0.00 2.66 0.34 43 P C T 92.13 5.85 12.72 20.24 109.51 -77.36 -58.90 135.01 99.76 0.08 0.16 0.25 3.29 96.25 0.00 0.16 0.00 0.05 0.02 44 G C T 69.43 0.26 13.52 10.80 94.92 16.33 83.44 -2.48 99.76 0.06 0.17 0.36 3.38 96.01 0.00 0.20 0.00 0.04 0.01 45 K C S 103.42 5.36 9.45 17.04 128.81 94.26 -118.20 155.68 97.05 2.78 0.16 34.25 62.62 0.64 0.03 0.12 0.00 1.16 1.18 46 P C C 105.96 1.38 16.48 17.18 116.02 -96.00 -66.18 151.11 97.47 2.49 0.04 88.77 8.50 0.33 0.00 0.04 0.00 2.02 0.33 47 R C C 100.87 14.96 11.15 25.61 113.90 -102.14 -69.68 139.01 66.72 33.23 0.05 64.54 1.49 0.15 0.00 0.05 0.00 33.30 0.47 48 E E E 72.00 10.06 19.57 30.51 124.38 -163.62 -121.30 137.27 7.05 92.92 0.03 6.31 0.53 0.05 0.01 0.02 0.00 92.76 0.33 49 N E E 61.67 14.06 20.51 34.28 111.14 -117.04 -73.34 129.82 2.01 97.99 0.00 1.89 0.08 0.00 0.00 0.00 0.00 97.98 0.05 50 V E E 8.19 22.01 20.76 43.06 102.15 175.51 -100.66 -30.08 7.18 92.81 0.01 4.03 2.65 0.05 0.00 0.01 0.00 93.24 0.02 51 A E E 3.14 22.70 21.98 45.06 141.67 -2.15 -153.34 154.35 0.77 99.23 0.00 0.58 0.09 0.00 0.00 0.00 0.00 99.31 0.01 52 T E E 23.86 15.99 25.59 41.46 129.74 -162.72 -132.60 140.98 0.57 99.42 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 53 I E E 10.57 21.72 19.75 41.69 120.38 -161.25 -117.02 127.48 1.09 98.91 0.00 0.93 0.06 0.00 0.00 0.00 0.00 98.97 0.04 54 T E E 39.94 11.74 20.75 33.21 123.64 -170.56 -119.18 137.80 11.69 88.25 0.06 9.33 1.52 0.24 0.01 0.05 0.00 88.66 0.19 55 R E E 97.88 11.47 15.71 27.37 113.79 -167.99 -125.36 106.00 39.96 58.73 1.31 12.23 13.37 17.09 0.12 1.22 0.00 55.05 0.93 56 G C T 51.72 2.90 16.43 20.00 108.32 -42.13 67.65 -124.98 96.50 2.08 1.42 4.66 25.47 66.24 0.06 1.60 0.00 1.69 0.27 57 S C T 88.01 3.18 14.65 18.84 99.72 -26.37 -91.56 2.63 97.38 1.31 1.32 6.28 32.81 58.16 0.06 1.48 0.00 0.99 0.21 58 R E E 136.96 3.82 17.43 22.48 122.28 91.20 -109.00 139.42 35.65 64.13 0.22 26.21 8.45 1.55 0.03 0.21 0.00 62.79 0.75 59 T E E 44.97 18.56 12.14 29.74 124.02 -162.91 -115.58 136.43 13.25 86.73 0.02 11.91 0.69 0.05 0.00 0.01 0.00 87.16 0.17 60 S E E 44.04 8.52 23.21 32.30 131.18 -175.23 -132.10 148.98 2.30 97.69 0.01 1.99 0.16 0.01 0.00 0.00 0.00 97.67 0.16 61 Y E E 77.10 18.20 16.70 33.86 126.01 -151.36 -117.24 142.34 7.02 92.95 0.03 6.51 0.39 0.03 0.01 0.02 0.00 92.19 0.85 62 C C C 18.55 17.02 13.85 31.42 115.29 -114.57 -74.88 144.93 91.22 8.55 0.23 88.90 1.99 0.26 0.04 0.15 0.00 8.29 0.37 63 D H G 114.76 2.20 18.83 21.65 92.74 -123.31 -62.40 -30.69 36.80 0.58 62.62 2.77 5.29 26.95 1.97 62.50 0.00 0.37 0.15 64 S H G 58.47 7.66 17.88 26.63 90.97 63.47 -70.31 -18.17 36.88 0.32 62.80 1.08 3.25 30.75 1.73 62.90 0.00 0.19 0.10 65 V H G 7.44 23.19 10.80 34.06 97.77 47.34 -100.78 -1.75 36.04 1.15 62.82 3.33 5.15 26.48 2.18 61.78 0.01 0.74 0.34 66 K C T 122.01 7.23 15.40 25.00 110.65 123.49 -61.19 131.21 91.48 4.37 4.15 4.03 5.26 82.55 1.21 2.28 0.02 2.23 2.42 67 G C T 62.37 1.17 18.86 18.81 94.88 12.60 80.34 -4.18 97.00 0.35 2.64 0.57 3.60 93.39 0.26 1.85 0.00 0.21 0.12 68 R C T 89.00 12.40 17.09 29.57 101.36 65.20 -100.12 -20.86 97.48 0.68 1.84 2.96 15.57 79.01 0.15 1.63 0.00 0.56 0.13 69 F E E 9.67 23.83 12.96 37.10 135.80 33.71 -137.90 154.06 14.45 85.52 0.03 10.67 4.02 0.17 0.01 0.03 0.00 83.28 1.82 70 T E E 61.41 6.73 26.45 33.89 124.08 -151.45 -119.36 138.08 1.84 98.16 0.00 1.74 0.05 0.00 0.00 0.00 0.00 98.15 0.06 71 I E E 18.48 24.37 14.92 39.15 122.34 -161.27 -118.59 130.75 1.71 98.29 0.00 1.70 0.03 0.00 0.00 0.00 0.00 98.25 0.02 72 S E E 46.96 7.21 25.82 33.30 130.18 -174.07 -129.04 147.83 3.19 96.80 0.00 2.94 0.12 0.01 0.00 0.00 0.00 96.90 0.03 73 K E E 70.88 19.08 14.05 31.93 126.46 -157.88 -123.03 135.66 4.27 95.71 0.02 3.66 0.46 0.04 0.00 0.01 0.00 95.55 0.27 74 D E E 56.95 7.17 17.80 26.41 109.33 -154.97 -107.00 105.89 18.95 80.97 0.08 18.07 0.83 0.12 0.03 0.05 0.00 79.37 1.52 75 N C T 92.56 8.76 13.29 23.54 93.34 -167.73 -68.42 -26.35 89.48 0.37 10.14 1.08 4.89 81.80 0.20 11.69 0.00 0.23 0.11 76 A C T 87.40 1.38 16.26 17.13 92.93 56.53 -69.55 -34.96 89.96 0.43 9.61 0.69 4.43 83.62 0.19 10.68 0.00 0.25 0.15 77 K C T 111.08 4.58 16.82 22.02 98.22 31.23 -97.48 -5.53 92.36 0.15 7.50 1.14 5.73 83.88 0.17 8.94 0.00 0.08 0.06 78 S C T 34.15 14.30 15.81 30.90 95.63 -127.55 56.72 41.86 99.56 0.18 0.25 6.54 5.05 88.03 0.04 0.17 0.00 0.13 0.03 79 T E E 26.83 12.18 22.26 35.58 133.11 129.45 -129.60 152.25 9.35 90.64 0.01 8.15 0.81 0.05 0.00 0.01 0.00 89.28 1.70 80 V E E 4.26 24.87 18.90 44.46 123.16 -156.88 -119.63 134.00 1.91 98.09 0.00 1.83 0.04 0.00 0.00 0.00 0.00 98.03 0.09 81 Y E E 50.56 12.59 27.32 40.59 120.66 -160.64 -112.53 131.03 2.56 97.44 0.00 2.33 0.06 0.00 0.00 0.00 0.00 97.60 0.01 82 L E E 2.59 26.47 19.96 47.30 120.79 -164.48 -113.61 130.21 0.34 99.66 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.67 0.00 83 Q E E 51.90 11.39 27.58 39.57 119.57 -163.95 -113.37 127.83 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.85 0.01 84 M E E 7.02 24.68 17.23 42.33 119.96 -168.22 -114.98 128.64 13.86 86.14 0.00 14.21 0.08 0.00 0.00 0.00 0.00 84.97 0.72 85 N C C 61.71 8.30 22.85 31.37 122.42 -156.80 -98.03 156.38 97.44 2.52 0.04 48.18 45.88 3.06 0.00 0.07 0.00 2.65 0.16 86 K C S 125.65 4.06 23.97 28.11 96.12 7.82 57.93 56.99 99.32 0.65 0.03 10.17 85.71 3.51 0.00 0.03 0.00 0.46 0.11 87 L C C 16.04 24.17 10.47 34.24 114.73 -153.41 -72.44 137.05 99.35 0.64 0.01 97.65 1.73 0.02 0.00 0.00 0.00 0.18 0.42 88 K C C 92.94 4.73 24.16 28.85 129.89 -173.20 -123.98 155.97 99.90 0.09 0.01 99.39 0.51 0.01 0.00 0.00 0.00 0.02 0.06 89 P H G 71.70 12.23 15.95 28.40 91.22 -104.27 -58.80 -31.89 5.47 0.03 94.49 0.35 0.36 3.37 0.21 95.68 0.00 0.02 0.00 90 E H G 116.54 4.73 21.43 27.02 90.22 63.06 -70.71 -15.77 4.45 0.05 95.50 0.21 0.30 2.90 0.18 96.37 0.00 0.04 0.00 91 D H G 12.26 21.56 16.61 38.52 94.03 66.09 -84.30 -0.47 6.05 0.10 93.86 1.41 0.72 1.86 0.35 95.58 0.00 0.08 0.00 92 T C C 31.98 16.76 21.49 38.31 114.99 106.91 -79.12 135.27 92.86 6.91 0.23 90.62 2.46 0.14 0.03 0.19 0.00 6.23 0.32 93 A E E 11.92 18.55 23.52 41.33 144.56 145.83 -156.14 169.38 3.87 96.12 0.01 3.70 0.21 0.01 0.00 0.00 0.00 95.49 0.58 94 D E E 35.21 15.09 26.21 41.20 119.46 -92.91 -100.84 135.51 1.38 98.62 0.00 1.31 0.06 0.00 0.00 0.00 0.00 98.58 0.05 95 Y E E 6.15 25.53 21.15 46.80 124.42 -161.04 -112.92 138.23 1.60 98.39 0.00 1.40 0.12 0.01 0.00 0.00 0.00 98.43 0.04 96 Y E E 31.35 17.57 27.67 44.66 131.66 -171.96 -128.41 148.38 3.28 96.69 0.02 2.91 0.22 0.03 0.01 0.01 0.00 96.63 0.19 97 C E E 3.48 25.25 22.14 47.34 129.15 -166.09 -129.09 142.30 9.10 90.80 0.10 8.00 0.77 0.12 0.03 0.05 0.00 90.53 0.50 98 N E E 28.69 15.02 26.74 41.67 127.59 -168.24 -124.84 144.20 11.08 88.72 0.20 9.45 1.31 0.26 0.06 0.11 0.00 87.84 0.96 99 A E E 10.36 21.17 17.96 39.05 127.52 -168.19 -123.81 143.12 20.29 79.38 0.33 16.19 3.73 0.78 0.09 0.23 0.00 77.47 1.50 100 E E E 103.53 7.74 20.58 28.94 120.25 -148.50 -109.50 135.78 37.16 62.40 0.45 25.57 10.96 2.38 0.09 0.42 0.00 59.07 1.51 101 G C C 29.44 8.48 14.49 24.20 136.29 111.74 -158.60 -177.52 70.83 26.19 2.98 30.54 23.56 18.24 0.33 2.81 0.01 22.74 1.78 102 P C T 116.37 1.82 15.24 17.32 94.64 -58.79 -69.70 -20.80 94.10 1.16 4.74 10.75 28.12 54.87 0.41 4.74 0.00 0.75 0.35 103 A C T 68.80 5.51 14.10 20.81 101.09 42.88 -92.49 3.16 92.02 2.58 5.40 11.33 28.19 52.39 0.51 5.17 0.00 1.83 0.58 104 G C E 29.18 8.52 17.52 26.92 127.77 -109.11 105.37 172.16 56.93 41.10 1.96 34.48 15.30 9.16 0.27 1.89 0.00 37.12 1.77 105 Y E E 85.86 15.44 17.25 32.10 123.63 -71.26 -111.28 139.56 27.17 72.34 0.48 22.44 3.49 1.06 0.19 0.37 0.00 67.58 4.88 106 W E E 63.08 17.15 18.79 35.32 109.89 -163.74 -101.41 82.85 26.95 72.63 0.41 21.99 3.57 1.30 0.19 0.30 0.00 67.82 4.83 107 G C C 19.08 16.14 20.22 35.27 125.38 -144.25 73.45 -161.84 62.14 37.56 0.30 43.95 14.30 3.92 0.06 0.31 0.00 35.65 1.81 108 Q C C 96.82 9.24 23.52 32.74 100.27 -71.36 -82.13 7.38 74.07 25.71 0.22 55.88 15.85 2.18 0.04 0.22 0.00 24.38 1.45 109 G C C 14.81 19.72 17.48 35.70 125.37 -125.15 77.60 172.10 74.59 25.32 0.09 62.14 10.60 0.82 0.02 0.09 0.00 25.46 0.88 110 T E E 27.99 16.70 21.08 37.60 122.08 -99.61 -104.26 139.30 30.48 69.50 0.02 27.99 1.97 0.06 0.01 0.01 0.00 68.93 1.03 111 P E E 71.99 9.48 23.88 33.48 115.00 -118.12 -74.01 138.85 9.37 90.62 0.01 9.10 0.31 0.01 0.00 0.00 0.00 90.22 0.35 112 V E E 12.02 23.63 14.91 38.41 124.22 -167.13 -118.88 135.74 4.51 95.48 0.01 4.52 0.13 0.01 0.00 0.01 0.00 95.13 0.20 113 T E E 64.50 6.93 24.84 32.15 120.89 -151.30 -107.25 135.86 4.59 95.38 0.02 4.41 0.26 0.03 0.01 0.01 0.00 94.87 0.41 114 V E E 24.05 21.61 12.74 33.66 121.41 -159.48 -110.21 135.96 14.54 85.36 0.09 13.50 0.82 0.13 0.04 0.06 0.00 84.40 1.06 115 S E E 57.42 5.81 18.05 24.66 124.89 -161.81 -112.62 156.54 48.26 51.64 0.10 46.52 0.87 0.19 0.03 0.06 0.00 50.50 1.83 116 A C C 69.36 8.20 15.28 24.18 109.46 -101.83 -75.47 132.33 99.80 0.19 0.00 99.75 0.10 0.02 0.00 0.00 0.00 0.13 0.01