# 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 114.05 5.59 20.84 27.10 116.64 -137.21 -95.32 132.78 99.65 0.35 0.00 99.64 0.07 0.01 0.00 0.00 0.00 0.27 0.01 1 I C C 38.05 19.69 12.34 31.37 117.55 -151.45 -102.21 129.16 57.56 42.30 0.14 56.88 0.44 0.19 0.03 0.08 0.00 41.68 0.71 2 V E E 65.28 7.39 20.91 29.23 118.84 -163.94 -114.12 127.66 17.36 82.21 0.44 15.85 1.23 0.38 0.12 0.30 0.00 81.27 0.85 3 L E E 39.54 19.41 14.12 33.01 117.60 -155.98 -103.07 128.13 13.15 86.46 0.39 12.06 0.93 0.31 0.11 0.26 0.00 85.67 0.67 4 T E E 64.47 8.14 20.85 29.62 122.89 -172.38 -121.53 136.52 20.27 79.30 0.42 17.63 1.92 0.59 0.09 0.33 0.00 78.47 0.97 5 Q E E 68.41 14.44 15.46 29.74 126.22 -160.98 -122.42 139.82 45.36 54.33 0.31 36.42 7.87 0.92 0.06 0.28 0.00 53.29 1.16 6 S C C 56.71 8.37 18.05 27.22 119.89 -130.57 -96.61 145.33 81.09 18.80 0.12 58.14 21.00 1.06 0.02 0.12 0.00 18.89 0.78 7 P C S 71.49 8.33 17.20 26.14 111.65 -49.90 -69.19 147.98 88.35 11.41 0.24 28.89 48.89 9.20 0.01 0.30 0.00 12.28 0.42 8 G E E 32.58 10.69 17.65 28.37 109.48 -135.89 -73.15 -31.78 45.66 54.10 0.23 21.99 19.15 4.59 0.02 0.29 0.00 53.47 0.51 9 T E E 70.73 8.64 19.66 29.02 129.82 6.48 -131.77 141.18 15.17 84.79 0.04 13.65 1.03 0.09 0.00 0.03 0.00 84.88 0.30 10 L E E 24.21 20.06 15.50 35.25 127.00 -171.10 -128.60 138.77 1.98 98.02 0.00 1.85 0.07 0.00 0.00 0.00 0.00 97.99 0.08 11 S E E 60.56 7.65 23.76 32.18 121.86 -156.80 -115.13 134.80 1.53 98.47 0.00 1.41 0.06 0.00 0.00 0.00 0.00 98.49 0.05 12 L E E 15.79 21.56 14.33 35.60 132.75 -177.58 -135.27 151.49 11.74 88.25 0.01 11.41 0.27 0.02 0.00 0.01 0.00 87.65 0.64 13 F C C 100.71 5.23 23.54 28.72 121.67 -130.59 -92.76 152.55 79.24 20.69 0.07 77.90 1.60 0.20 0.02 0.04 0.00 18.83 1.41 14 S C T 48.74 13.94 14.49 28.47 109.14 -83.33 -59.60 134.10 99.00 0.57 0.43 0.24 2.34 96.74 0.04 0.25 0.00 0.31 0.08 15 G C T 45.72 4.37 19.62 24.77 95.99 22.97 89.01 -6.44 99.35 0.28 0.37 0.41 2.80 96.30 0.03 0.25 0.00 0.18 0.02 16 E C C 79.04 8.92 17.60 27.56 122.72 117.68 -84.55 151.12 93.49 6.31 0.20 75.27 17.75 0.46 0.04 0.18 0.00 5.66 0.64 17 R C C 124.25 9.14 19.49 29.69 123.03 -134.47 -106.85 141.43 51.09 48.88 0.03 51.11 0.60 0.05 0.01 0.02 0.00 47.20 1.01 18 A E E 8.44 22.19 15.61 37.76 130.85 -171.08 -130.91 148.16 1.70 98.30 0.00 1.61 0.04 0.00 0.00 0.00 0.00 98.26 0.08 19 T E E 61.31 9.01 25.23 34.80 121.27 -148.64 -116.16 132.05 0.70 99.30 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.33 0.02 20 L E E 5.19 25.58 17.34 43.50 121.92 -167.25 -116.11 131.29 4.40 95.59 0.01 3.90 0.25 0.01 0.00 0.00 0.00 95.77 0.06 21 S E E 34.63 10.36 26.83 37.69 126.48 -166.82 -119.12 142.87 14.21 85.77 0.01 12.66 0.80 0.04 0.00 0.01 0.00 86.38 0.12 22 C E E 4.59 25.37 16.95 42.66 131.58 -173.42 -134.69 146.99 12.91 87.07 0.02 11.98 0.57 0.04 0.00 0.02 0.00 87.01 0.37 23 R E E 109.85 6.87 26.76 34.40 121.65 -159.20 -116.42 133.23 6.64 93.33 0.03 6.22 0.31 0.03 0.02 0.02 0.00 90.25 3.15 24 A E E 9.05 23.91 11.96 35.48 119.69 -150.15 -92.99 141.25 41.91 57.83 0.26 39.82 1.59 0.27 0.07 0.18 0.00 55.92 2.15 25 S C S 73.49 3.67 21.46 25.34 98.44 -156.23 -87.32 -17.14 87.46 12.02 0.52 32.46 50.82 3.87 0.05 0.50 0.00 11.69 0.61 26 Q C S 92.35 4.67 20.00 25.28 133.32 24.55 -135.96 161.71 89.95 9.23 0.81 12.80 69.87 7.26 0.07 0.70 0.00 8.53 0.77 27 S C C 72.44 6.08 19.37 26.57 115.45 -94.43 -75.75 139.30 89.64 9.21 1.16 75.91 9.18 4.05 0.15 1.27 0.00 8.25 1.17 28 V C C 18.84 22.12 11.38 32.81 123.54 -161.72 -115.97 136.39 78.10 20.52 1.38 66.23 7.48 2.80 0.46 1.08 0.00 13.38 8.57 29 S C C 78.93 3.26 22.83 26.18 105.04 -154.59 -94.63 57.36 88.16 10.53 1.31 60.55 20.45 7.10 0.23 1.32 0.00 8.20 2.16 30 S C S 33.55 14.59 16.12 30.60 129.52 92.66 -116.61 160.34 85.12 9.40 5.49 28.54 41.17 15.77 0.50 5.21 0.00 7.42 1.39 31 S C S 61.55 9.38 21.45 30.87 98.35 -135.08 -84.85 -8.38 84.92 11.75 3.33 16.80 53.48 14.10 0.20 3.19 0.00 11.44 0.80 32 S E E 24.46 14.57 23.11 37.65 128.82 43.03 -130.81 143.78 37.91 58.65 3.45 25.53 7.99 5.11 0.26 3.16 0.00 57.32 0.63 33 L E E 3.76 25.93 19.97 46.16 129.62 -171.80 -129.39 143.34 6.76 93.21 0.03 6.10 0.48 0.04 0.00 0.01 0.00 93.15 0.22 34 A E E 11.32 17.88 27.88 45.56 130.12 -166.97 -126.35 145.54 0.86 99.13 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.17 0.02 35 W E E 8.49 24.53 23.05 47.33 124.66 -154.53 -114.04 139.26 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 36 Y E E 24.02 17.61 23.81 41.32 133.59 -175.12 -133.31 150.73 0.80 99.20 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.24 0.03 37 Q E E 43.48 14.53 21.67 36.34 121.66 -145.75 -108.71 135.63 3.92 96.07 0.01 3.36 0.32 0.02 0.00 0.00 0.00 96.15 0.13 38 Q E E 54.02 14.13 15.66 30.24 119.73 -146.09 -103.28 135.71 30.91 69.04 0.05 27.66 2.25 0.14 0.01 0.03 0.00 68.86 1.06 39 K C C 99.00 6.36 15.54 23.20 118.74 -139.16 -91.10 146.23 93.72 6.19 0.10 90.51 3.06 0.42 0.02 0.07 0.00 4.74 1.17 40 H C T 148.21 3.13 11.57 16.79 108.63 -84.47 -58.99 132.72 99.23 0.27 0.50 0.69 5.34 93.21 0.02 0.49 0.00 0.18 0.06 41 G C T 68.92 0.33 13.04 10.96 95.84 16.29 83.41 -2.98 99.43 0.11 0.45 0.74 4.98 93.68 0.01 0.49 0.00 0.08 0.02 42 Q C S 99.92 4.74 11.05 17.81 125.61 95.45 -115.42 158.90 92.69 6.75 0.56 30.55 59.57 2.65 0.11 0.47 0.00 2.61 4.03 43 G C C 39.43 3.84 17.66 21.97 123.45 -102.40 -76.93 167.96 96.89 3.07 0.04 84.09 12.73 0.26 0.01 0.03 0.00 2.48 0.40 44 P C C 44.40 17.91 12.96 30.20 115.03 -77.50 -66.99 143.72 90.20 9.76 0.04 87.19 2.66 0.17 0.00 0.04 0.00 9.61 0.32 45 R E E 99.27 9.29 21.82 31.62 125.11 -163.19 -122.87 138.33 7.72 92.23 0.05 6.69 0.84 0.08 0.02 0.03 0.00 91.81 0.54 46 L E E 53.74 17.05 18.69 35.17 110.60 -115.52 -74.76 126.42 0.91 99.08 0.01 0.81 0.04 0.00 0.00 0.00 0.00 99.12 0.03 47 I E E 21.55 18.77 21.95 40.50 101.74 175.25 -98.34 -32.23 1.47 98.51 0.02 1.03 0.30 0.02 0.00 0.00 0.00 98.63 0.01 48 M E E 13.54 21.01 22.87 43.36 138.12 3.78 -151.45 146.27 0.57 99.42 0.01 0.45 0.04 0.00 0.00 0.00 0.00 99.48 0.02 49 Y E E 55.64 18.54 22.86 39.99 130.86 -173.35 -135.26 140.95 5.36 94.57 0.07 4.37 0.58 0.10 0.02 0.03 0.00 94.75 0.15 50 G E E 11.91 17.63 21.85 38.55 129.83 152.92 -133.50 165.71 41.90 57.09 1.01 25.30 13.82 3.97 0.24 0.72 0.00 55.19 0.76 51 A C C 36.25 13.55 19.95 33.33 112.12 -112.59 -90.61 141.50 67.46 23.55 8.99 29.51 23.04 17.36 2.40 5.77 0.07 19.57 2.28 52 S C T 57.38 10.59 18.18 28.49 101.41 -91.10 -78.32 -15.12 75.31 5.95 18.73 22.46 24.14 30.57 5.43 11.66 0.08 3.76 1.89 53 S C T 65.22 7.72 17.90 25.99 102.39 46.64 -88.82 -2.69 68.86 6.98 24.16 22.18 21.08 27.84 8.11 14.11 0.14 4.29 2.25 54 R C C 118.00 9.70 16.45 26.46 104.64 60.96 -89.00 19.02 58.69 18.09 23.22 29.33 15.11 16.44 9.81 12.44 0.31 12.39 4.17 55 A C C 48.61 13.75 14.18 27.59 107.37 125.53 -83.63 94.86 60.57 21.33 18.11 35.85 12.93 13.29 8.08 9.71 0.15 15.83 4.17 56 T C C 82.37 6.52 18.00 25.48 114.05 161.04 -99.63 122.37 65.29 21.76 12.96 30.67 15.92 20.75 5.60 6.69 0.21 16.16 4.00 57 G C C 39.42 7.30 19.14 27.09 108.58 7.90 94.03 -0.62 80.91 15.01 4.07 37.62 25.87 18.82 0.97 3.03 0.01 10.70 2.97 58 I C C 33.04 20.88 12.27 31.99 115.25 100.99 -93.62 125.94 90.92 8.51 0.57 72.50 17.60 1.09 0.25 0.35 0.00 5.38 2.83 59 P C C 52.25 10.43 16.33 27.79 112.26 -113.30 -67.10 151.37 87.64 4.06 8.29 70.61 6.77 9.51 1.49 7.53 0.00 3.00 1.08 60 D C T 118.76 2.56 18.25 21.59 93.82 -105.60 -66.59 -20.33 75.78 2.60 21.61 13.08 19.50 43.35 2.11 19.46 0.02 1.68 0.80 61 R C T 105.65 10.43 18.07 28.60 97.24 61.15 -89.07 -6.15 68.21 9.11 22.68 14.26 17.93 37.37 2.34 19.31 0.06 7.46 1.27 62 F E E 21.79 23.18 13.31 35.63 115.21 69.51 -105.28 118.48 30.09 60.52 9.40 21.03 7.83 4.75 2.69 5.80 0.03 55.75 2.11 63 S E E 52.15 8.15 23.19 32.20 132.86 152.06 -131.69 151.71 15.43 84.03 0.54 12.71 2.52 0.68 0.26 0.30 0.00 81.78 1.74 64 G E E 21.68 18.28 16.31 33.40 141.24 165.51 -160.44 168.01 14.52 85.26 0.22 11.96 2.26 0.52 0.07 0.14 0.00 84.31 0.74 65 S E E 61.07 5.97 22.35 29.85 136.41 -157.79 -146.61 156.09 20.39 79.39 0.22 16.87 3.09 0.65 0.05 0.16 0.00 78.38 0.79 66 G E E 27.24 13.82 15.67 29.44 140.24 145.83 -163.54 172.78 35.62 64.08 0.30 25.36 9.57 1.91 0.05 0.30 0.00 61.71 1.12 67 F C E 131.97 4.42 20.92 26.22 120.10 -127.68 -125.34 122.43 52.64 46.43 0.93 29.85 17.88 7.32 0.16 0.97 0.01 40.50 3.32 68 G C S 33.83 8.84 19.64 28.83 111.82 -39.25 65.12 -135.64 96.24 2.53 1.23 5.12 46.95 44.32 0.05 1.29 0.00 1.94 0.33 69 T C S 54.69 14.35 16.55 31.00 97.14 -13.31 -95.80 -0.44 96.15 2.72 1.13 5.10 47.67 43.53 0.05 1.14 0.00 2.21 0.30 70 D E E 59.91 9.00 22.62 32.74 117.99 85.22 -102.85 130.67 43.86 55.58 0.56 25.23 16.82 4.27 0.07 0.65 0.00 50.52 2.44 71 F E E 7.06 24.97 16.21 41.74 127.35 -172.75 -124.74 140.59 21.38 78.60 0.01 19.86 0.88 0.06 0.00 0.01 0.00 78.69 0.50 72 T E E 33.63 10.74 27.44 39.25 122.98 -166.45 -118.48 134.83 5.11 94.89 0.00 4.53 0.20 0.00 0.00 0.00 0.00 95.19 0.08 73 I E E 2.55 26.49 19.27 46.84 118.90 -161.78 -112.43 127.56 0.33 99.67 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.00 74 T E E 37.81 10.30 27.34 38.53 119.77 -164.60 -114.70 128.37 0.18 99.82 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 75 I E E 6.64 24.35 16.57 41.58 117.01 -166.39 -113.68 123.69 3.56 96.44 0.00 3.77 0.04 0.00 0.00 0.00 0.00 95.68 0.50 76 S C S 45.63 7.52 23.03 30.80 121.20 -170.68 -105.33 155.49 92.73 7.23 0.04 42.54 46.46 2.53 0.00 0.06 0.00 8.21 0.19 77 R C S 144.98 3.99 23.84 27.93 95.24 8.92 57.17 53.74 98.90 1.08 0.01 8.41 88.19 2.30 0.00 0.01 0.00 1.01 0.07 78 L C C 14.69 24.24 10.38 34.27 114.52 -148.82 -75.35 135.05 99.05 0.95 0.00 97.94 1.33 0.02 0.00 0.00 0.00 0.32 0.38 79 E C C 84.61 4.77 24.47 28.97 129.54 -171.62 -122.46 155.84 99.88 0.11 0.01 99.61 0.29 0.00 0.00 0.00 0.00 0.02 0.06 80 P H G 66.73 13.67 15.09 28.80 91.13 -105.61 -58.82 -31.61 3.10 0.01 96.89 0.13 0.17 1.98 0.19 97.52 0.00 0.01 0.00 81 E H G 125.01 3.83 21.60 26.17 90.23 62.80 -71.39 -16.18 2.67 0.02 97.30 0.07 0.13 1.81 0.12 97.86 0.00 0.02 0.00 82 D H G 16.00 20.03 16.92 37.28 94.68 61.00 -89.04 -2.77 3.75 0.05 96.20 0.43 0.36 1.72 0.18 97.26 0.00 0.04 0.00 83 F C C 39.92 18.50 20.29 38.67 116.66 102.76 -80.83 136.52 84.46 15.45 0.09 82.47 2.02 0.05 0.01 0.08 0.00 15.10 0.27 84 A E E 11.70 18.46 23.62 41.36 142.94 156.58 -153.77 170.74 2.62 97.38 0.00 2.45 0.11 0.00 0.00 0.00 0.00 97.25 0.19 85 V E E 30.33 16.14 25.75 41.62 119.03 -106.23 -107.33 131.00 0.31 99.69 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 86 Y E E 6.72 25.15 21.13 46.24 124.12 -167.25 -116.48 137.87 0.24 99.76 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 87 Y E E 30.35 16.92 27.29 43.90 129.53 -171.11 -125.04 144.38 0.82 99.18 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.25 0.01 88 C E E 3.18 25.32 21.52 46.97 124.71 -163.28 -119.56 138.28 4.63 95.35 0.02 3.81 0.51 0.03 0.00 0.01 0.00 95.56 0.07 89 Q E E 38.44 14.35 26.21 40.51 126.57 -169.96 -121.74 140.28 6.66 93.29 0.05 5.94 0.47 0.06 0.01 0.02 0.00 93.21 0.28 90 Q E E 32.74 18.98 18.85 37.27 120.82 -152.96 -107.03 134.79 19.20 80.62 0.18 16.55 2.20 0.41 0.05 0.12 0.00 79.74 0.94 91 Y E E 91.35 10.85 18.71 30.06 118.94 -162.25 -111.04 130.58 48.30 50.96 0.75 33.15 12.77 4.39 0.14 0.72 0.00 46.95 1.88 92 G C S 37.30 6.67 15.43 23.24 125.18 73.09 132.93 -171.60 84.53 14.02 1.45 22.45 37.30 25.04 0.11 1.57 0.00 12.39 1.14 93 S C S 93.24 1.98 14.44 16.96 99.39 -61.53 -85.43 -7.89 93.82 4.19 1.99 23.03 44.34 26.55 0.16 2.14 0.00 2.91 0.86 94 S C S 66.74 4.55 13.44 19.62 121.24 66.54 -104.93 142.36 91.36 6.25 2.39 33.54 45.24 12.72 0.30 2.35 0.00 4.08 1.78 95 S C C 71.02 6.71 15.37 23.11 110.05 -104.31 -75.39 138.47 90.46 7.25 2.28 34.68 32.62 23.52 0.22 2.32 0.00 5.61 1.01 96 G C C 26.85 12.87 15.50 28.34 123.89 -156.18 -128.61 164.69 74.72 23.29 1.99 43.48 18.19 13.42 0.24 1.99 0.00 21.25 1.44 97 T E E 63.99 10.23 20.49 30.97 122.21 -126.59 -113.74 138.29 47.11 51.76 1.13 38.98 5.64 1.78 0.34 0.89 0.00 47.49 4.88 98 F E E 52.46 18.98 16.43 34.50 118.05 -152.61 -101.31 135.31 32.94 66.31 0.75 25.31 5.14 1.70 0.36 0.55 0.00 56.33 10.61 99 G C C 19.07 14.30 18.60 32.58 123.55 -136.02 -82.85 173.47 65.79 33.82 0.39 46.56 15.59 3.37 0.06 0.38 0.00 32.48 1.56 100 Q C C 114.13 5.94 23.06 29.34 105.98 -73.07 -79.78 76.29 72.94 26.73 0.33 57.27 12.57 1.91 0.05 0.32 0.00 27.09 0.80 101 G C C 16.02 18.76 16.51 34.00 127.36 -126.09 -79.75 172.02 61.03 38.83 0.14 52.61 5.42 0.60 0.02 0.12 0.00 40.72 0.51 102 T E E 30.74 15.45 20.35 35.98 128.50 -118.80 -124.10 145.61 6.86 93.11 0.02 6.29 0.34 0.03 0.01 0.01 0.00 93.12 0.21 103 K E E 98.11 10.42 23.06 33.57 120.52 -138.90 -104.82 133.95 0.90 99.10 0.00 0.79 0.04 0.00 0.00 0.00 0.00 99.13 0.03 104 L E E 12.24 22.90 15.21 38.04 123.28 -167.37 -117.46 135.69 1.01 98.98 0.00 0.96 0.02 0.00 0.00 0.00 0.00 98.99 0.02 105 E E E 94.51 6.02 23.81 30.28 119.32 -156.21 -108.87 131.03 2.50 97.49 0.01 2.41 0.08 0.01 0.00 0.00 0.00 97.37 0.13 106 M E E 29.46 20.83 11.23 31.29 115.74 -148.49 -94.95 129.01 24.23 75.72 0.06 24.31 0.28 0.05 0.02 0.02 0.00 74.50 0.82 107 K C C 129.52 3.99 19.99 24.77 113.25 -151.71 -95.22 128.37 99.39 0.60 0.00 99.46 0.05 0.01 0.00 0.00 0.00 0.47 0.01