# 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 D C C 100.72 3.98 20.78 24.92 103.48 -125.82 -76.63 72.45 99.84 0.16 0.00 99.76 0.10 0.02 0.00 0.00 0.00 0.11 0.00 1 I C C 35.90 20.81 10.76 30.27 118.39 -161.85 -99.08 129.84 62.17 37.67 0.15 60.76 0.62 0.24 0.04 0.07 0.00 37.49 0.79 2 Q E E 99.63 5.00 21.94 27.84 123.57 -168.78 -119.30 137.18 24.64 75.10 0.27 22.32 1.73 0.41 0.09 0.18 0.00 74.12 1.16 3 M E E 42.85 21.26 13.05 33.20 123.61 -162.00 -115.83 134.56 18.90 80.88 0.22 17.46 1.10 0.23 0.09 0.12 0.00 79.68 1.32 4 T E E 64.56 6.84 21.76 29.26 126.00 -171.94 -123.96 143.84 26.14 73.52 0.34 22.84 2.57 0.53 0.12 0.22 0.00 72.42 1.31 5 Q E E 66.31 16.57 13.44 29.24 122.77 -159.02 -113.88 135.92 49.30 50.02 0.69 37.19 10.40 2.11 0.16 0.57 0.00 48.31 1.25 6 S C C 69.83 5.96 18.18 24.98 102.60 -158.17 -89.89 -18.04 78.44 20.74 0.82 46.20 25.67 6.00 0.11 0.81 0.00 20.22 0.98 7 S C C 45.16 8.41 16.34 25.90 124.83 28.39 -115.03 151.23 86.26 11.86 1.88 42.69 30.41 12.87 0.18 1.93 0.00 11.15 0.77 8 S C S 63.29 10.56 15.89 27.02 98.45 -150.68 -88.93 -16.89 75.21 23.77 1.02 24.05 42.87 7.18 0.09 0.93 0.00 24.12 0.75 9 Y E E 118.14 6.35 20.32 27.93 131.43 35.92 -137.00 142.61 20.95 78.20 0.85 15.77 4.68 1.43 0.17 0.58 0.00 76.74 0.62 10 L E E 27.89 20.40 14.35 34.16 129.78 -174.35 -133.65 140.48 7.07 92.83 0.10 6.19 0.71 0.13 0.03 0.05 0.00 92.60 0.29 11 S E E 62.86 6.82 23.15 31.07 124.57 -162.57 -120.08 139.20 5.20 94.74 0.06 4.60 0.45 0.09 0.02 0.04 0.00 94.58 0.23 12 V E E 20.24 19.63 14.30 33.78 136.09 174.68 -142.76 155.55 12.63 87.24 0.13 11.36 0.95 0.16 0.04 0.07 0.00 86.92 0.50 13 S E E 56.51 5.02 23.07 28.01 121.31 -117.10 -85.21 156.23 33.83 65.59 0.58 28.80 4.04 1.14 0.21 0.44 0.00 62.28 3.09 14 L C T 69.72 15.05 14.32 29.12 108.99 -85.87 -61.21 134.57 92.56 5.77 1.67 2.48 8.63 82.41 0.16 1.36 0.00 4.36 0.60 15 G C T 46.15 4.36 19.96 24.92 97.15 22.98 88.81 -6.12 96.79 2.01 1.20 3.08 11.48 82.32 0.09 1.14 0.00 1.65 0.23 16 G C S 24.58 9.44 16.86 27.40 126.06 115.73 -86.54 171.74 92.54 6.95 0.50 44.89 45.80 2.20 0.06 0.50 0.00 5.84 0.71 17 R C C 126.29 7.81 20.10 29.20 124.95 -116.28 -113.63 141.91 69.79 30.18 0.03 68.06 1.09 0.07 0.00 0.02 0.00 30.28 0.48 18 V E E 11.84 22.67 14.80 37.51 127.07 -168.39 -126.06 141.60 1.54 98.46 0.00 1.52 0.03 0.00 0.00 0.00 0.00 98.33 0.12 19 T E E 61.21 8.15 25.28 33.93 119.10 -151.41 -109.42 129.14 0.55 99.45 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 20 I E E 4.51 25.69 16.69 43.25 120.54 -167.45 -114.92 129.43 1.78 98.22 0.00 1.64 0.05 0.00 0.00 0.00 0.00 98.29 0.02 21 T E E 43.68 9.44 27.08 37.29 121.38 -164.46 -112.39 133.93 7.04 92.96 0.00 6.42 0.20 0.01 0.00 0.00 0.00 93.31 0.05 22 C E E 3.94 25.72 16.84 43.06 128.29 -172.22 -126.68 142.14 8.05 91.94 0.01 7.32 0.33 0.01 0.00 0.00 0.00 92.20 0.12 23 K E E 90.52 7.49 27.64 36.02 121.98 -161.96 -117.58 132.72 5.27 94.71 0.02 4.93 0.28 0.03 0.01 0.01 0.00 93.82 0.91 24 A E E 8.93 24.10 14.14 37.92 125.52 -164.39 -113.35 146.54 40.13 59.64 0.23 38.07 1.62 0.25 0.08 0.15 0.00 57.65 2.20 25 S C C 41.95 8.37 19.96 28.93 122.34 -127.27 -89.85 168.29 80.51 18.54 0.96 64.74 12.28 2.80 0.17 0.90 0.00 17.51 1.59 26 D C T 105.08 4.29 17.94 23.07 97.31 -79.82 -70.40 -20.42 89.57 2.87 7.56 9.55 34.85 45.98 1.20 5.74 0.00 1.93 0.77 27 H C T 119.61 4.99 19.60 25.02 102.40 53.01 -92.09 12.56 90.59 2.82 6.59 22.01 23.82 45.04 1.00 5.52 0.00 1.92 0.68 28 I C C 30.09 21.05 12.93 33.00 113.49 125.30 -89.81 124.42 81.39 10.36 8.25 52.32 18.05 10.70 1.75 6.91 0.00 6.70 3.56 29 N C C 67.09 10.57 21.72 32.21 110.05 -173.14 -102.33 24.88 85.33 9.17 5.50 59.57 15.55 10.07 0.83 5.00 0.00 7.53 1.46 30 N C S 66.48 11.68 22.53 33.64 106.37 22.10 -99.64 -6.17 83.41 13.32 3.27 21.30 51.80 10.06 0.31 2.85 0.00 12.80 0.89 31 W E E 61.18 15.14 23.95 38.67 125.92 36.45 -121.19 142.44 30.60 67.72 1.68 23.83 5.28 1.87 0.24 1.41 0.00 66.65 0.71 32 L E E 3.53 26.10 20.62 47.05 127.96 -169.70 -125.06 141.24 4.64 95.34 0.02 4.15 0.31 0.03 0.00 0.01 0.00 95.37 0.13 33 A E E 9.77 18.57 27.84 46.12 131.24 -172.23 -128.96 147.45 0.58 99.42 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 34 W E E 7.73 24.73 23.12 47.69 125.00 -154.57 -115.70 139.59 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 35 Y E E 23.80 17.41 23.91 41.25 132.13 -174.64 -130.73 150.00 0.54 99.46 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.02 36 Q E E 40.66 14.74 21.53 36.49 121.21 -146.05 -111.56 135.59 2.74 97.26 0.00 2.25 0.23 0.01 0.00 0.00 0.00 97.45 0.06 37 Q E E 53.53 14.06 15.55 30.11 117.99 -140.66 -98.14 133.67 27.48 72.50 0.02 24.87 1.71 0.08 0.00 0.02 0.00 72.14 1.18 38 K C C 96.82 6.38 15.24 22.98 119.78 -140.19 -91.76 146.41 97.36 2.60 0.04 95.46 1.93 0.22 0.01 0.03 0.00 1.91 0.44 39 P C T 106.82 3.31 11.52 16.78 109.39 -83.70 -58.73 134.20 99.50 0.11 0.39 0.51 3.98 95.02 0.01 0.38 0.00 0.07 0.03 40 G C T 68.48 0.35 12.96 10.94 96.26 17.90 83.24 -3.09 99.45 0.09 0.46 0.60 4.08 94.74 0.01 0.49 0.00 0.06 0.02 41 N C S 87.68 4.47 10.98 17.50 129.64 91.01 -117.55 160.02 93.94 5.63 0.43 34.44 57.91 1.73 0.08 0.37 0.00 2.11 3.36 42 A C C 70.25 3.34 16.38 20.40 116.61 -94.62 -71.30 150.15 97.22 2.74 0.04 86.61 10.69 0.18 0.01 0.03 0.00 2.11 0.38 43 P C C 42.74 18.12 11.21 28.56 114.83 -101.90 -66.20 144.88 89.61 10.34 0.05 87.65 1.92 0.15 0.01 0.04 0.00 9.81 0.42 44 R E E 117.36 6.59 21.25 28.80 123.27 -155.17 -116.81 137.61 9.86 90.04 0.10 8.59 1.23 0.13 0.04 0.05 0.00 89.21 0.76 45 L E E 66.53 15.64 17.44 32.62 110.65 -115.08 -74.52 127.22 1.25 98.73 0.02 1.13 0.06 0.01 0.01 0.00 0.00 98.75 0.05 46 L E E 27.91 17.35 20.66 37.95 101.23 176.16 -96.14 -34.64 2.40 97.56 0.03 1.68 0.58 0.04 0.01 0.01 0.00 97.67 0.02 47 I E E 17.80 19.83 21.12 40.78 136.71 5.49 -148.93 143.54 0.71 99.27 0.01 0.57 0.06 0.01 0.01 0.00 0.00 99.32 0.03 48 S E E 29.65 17.77 21.27 37.92 132.88 -174.86 -136.35 146.00 5.66 94.25 0.10 4.80 0.50 0.08 0.03 0.03 0.00 94.38 0.18 49 G E E 17.40 15.12 21.89 36.60 119.13 -153.53 -126.31 146.53 39.07 58.75 2.17 26.68 10.97 2.75 0.91 1.13 0.00 56.60 0.95 50 V C C 46.18 14.54 18.52 33.02 118.21 -103.51 -105.90 137.62 57.46 24.72 17.81 34.81 14.88 9.27 8.91 8.35 0.11 21.35 2.32 51 T C C 66.21 9.75 18.60 28.48 102.87 -133.95 -88.37 -9.00 61.50 11.93 26.58 29.09 17.90 16.04 14.49 11.27 0.22 8.44 2.55 52 N C C 78.32 8.20 18.14 26.83 109.68 42.87 -99.63 90.11 60.07 9.97 29.96 33.38 13.19 14.27 17.50 12.13 0.15 6.38 3.01 53 L C C 65.90 14.97 12.94 27.12 101.55 75.53 -79.53 -5.45 56.38 6.89 36.73 29.17 13.30 14.89 22.52 13.49 0.18 4.13 2.33 54 E C C 121.35 5.34 16.06 22.55 103.81 83.02 -83.84 8.07 58.87 6.77 34.36 25.22 13.89 20.90 20.47 12.85 0.23 4.07 2.38 55 T C T 83.56 6.10 15.47 22.58 105.83 58.69 -88.35 51.33 70.42 4.07 25.51 18.45 16.53 36.20 14.17 10.41 0.14 2.22 1.87 56 G C T 44.66 6.82 16.91 24.48 102.88 -76.06 85.66 3.50 92.60 3.92 3.48 31.18 25.44 36.64 0.87 2.36 0.00 2.40 1.11 57 V C C 38.29 16.49 12.62 29.20 117.27 126.16 -95.70 130.34 87.87 11.43 0.70 60.36 26.35 1.70 0.27 0.46 0.00 6.05 4.81 58 P C C 57.35 9.54 18.14 28.57 110.99 -110.25 -66.75 147.29 89.47 7.76 2.76 68.91 11.99 8.08 0.62 2.42 0.00 5.99 1.98 59 S C C 61.27 11.60 16.84 28.27 100.21 -122.84 -75.76 -5.43 87.42 8.23 4.35 46.08 24.15 17.52 0.51 4.29 0.00 6.27 1.17 60 R C C 110.97 9.35 20.68 30.14 103.31 67.13 -98.47 20.75 70.96 25.19 3.84 37.51 23.29 10.75 0.51 3.31 0.00 23.42 1.21 61 F E E 25.66 22.93 13.34 35.54 122.65 123.24 -106.20 139.18 22.85 76.73 0.43 19.58 3.09 0.56 0.15 0.27 0.00 75.15 1.20 62 S E E 54.93 6.55 24.27 31.99 134.54 -176.93 -137.34 154.51 6.92 92.97 0.10 6.20 0.60 0.10 0.04 0.04 0.00 92.57 0.46 63 G E E 22.32 18.52 15.60 32.88 141.48 163.91 -159.68 168.48 6.27 93.68 0.05 5.34 0.65 0.10 0.01 0.02 0.00 93.60 0.27 64 S E E 65.22 4.74 22.26 28.54 135.37 -167.54 -146.01 155.92 11.49 88.44 0.06 10.01 1.15 0.17 0.01 0.04 0.00 88.22 0.41 65 G E E 29.55 11.63 15.39 27.61 139.52 134.87 148.10 167.67 28.84 71.03 0.13 20.99 7.59 1.00 0.02 0.13 0.00 69.43 0.83 66 S C C 76.36 3.31 21.14 24.85 110.81 -119.35 -117.20 52.48 59.44 40.19 0.37 43.87 13.19 2.71 0.07 0.40 0.00 37.14 2.62 67 G C S 31.74 11.52 18.27 29.52 105.44 -61.82 66.25 -102.45 98.40 1.03 0.57 2.10 58.24 38.25 0.02 0.53 0.00 0.75 0.12 68 K C S 94.68 12.54 17.38 29.75 98.48 -6.19 -98.19 -3.96 98.31 1.23 0.46 2.01 58.55 37.96 0.01 0.40 0.00 0.96 0.11 69 N E E 68.71 8.47 22.36 31.90 122.87 76.78 -115.98 131.88 34.33 65.53 0.14 24.32 9.83 1.01 0.02 0.17 0.00 62.74 1.92 70 F E E 7.10 24.85 15.69 41.06 129.05 -174.51 -127.99 143.00 11.35 88.65 0.00 10.96 0.25 0.01 0.00 0.00 0.00 88.51 0.26 71 T E E 34.95 10.31 27.50 38.97 122.45 -160.07 -118.24 134.00 2.46 97.54 0.00 2.15 0.09 0.00 0.00 0.00 0.00 97.72 0.04 72 L E E 2.47 26.63 19.16 46.80 120.05 -163.38 -115.12 130.10 0.32 99.68 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.63 0.00 73 S E E 29.65 10.85 27.44 39.12 123.00 -166.27 -118.03 134.06 0.13 99.87 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 74 I E E 8.13 24.18 16.88 41.50 118.11 -163.32 -113.40 124.85 2.06 97.94 0.00 2.11 0.02 0.00 0.00 0.00 0.00 97.48 0.39 75 A C C 44.57 7.96 22.79 31.01 122.97 -167.56 -102.80 157.63 93.84 6.09 0.07 48.46 38.88 5.39 0.00 0.12 0.00 6.89 0.24 76 S C S 68.86 4.23 24.04 28.31 97.82 9.75 59.75 58.89 99.24 0.73 0.03 8.95 84.40 5.94 0.00 0.04 0.00 0.60 0.07 77 L C C 18.05 23.92 10.02 33.39 113.41 -145.34 -73.41 134.05 99.42 0.57 0.01 98.07 1.42 0.02 0.00 0.00 0.00 0.20 0.28 78 Q C C 81.86 4.09 23.92 27.73 131.56 -171.94 -125.67 159.16 99.83 0.15 0.01 99.55 0.30 0.01 0.00 0.00 0.00 0.02 0.11 79 T H G 75.81 11.47 15.19 27.08 90.99 -103.44 -59.00 -32.43 3.34 0.02 96.64 0.16 0.20 2.14 0.22 97.26 0.00 0.01 0.00 80 E H G 128.29 3.40 21.16 25.23 89.72 62.56 -70.48 -16.01 2.80 0.03 97.17 0.09 0.15 1.89 0.15 97.68 0.00 0.02 0.00 81 D H G 12.93 20.85 15.75 37.12 93.68 60.99 -89.20 -3.15 3.78 0.05 96.16 0.48 0.37 1.71 0.22 97.18 0.00 0.04 0.00 82 V C C 34.90 16.98 19.97 37.16 116.62 104.67 -78.02 135.97 84.29 15.62 0.09 81.66 2.79 0.06 0.01 0.07 0.00 15.00 0.41 83 A E E 13.84 16.48 22.81 39.13 145.03 149.86 -159.43 172.48 6.05 93.94 0.01 5.70 0.30 0.02 0.00 0.00 0.00 93.57 0.40 84 T E E 37.36 13.04 25.54 38.91 119.45 -87.42 -103.80 135.48 1.71 98.29 0.00 1.47 0.11 0.00 0.00 0.00 0.00 98.36 0.05 85 Y E E 6.83 25.36 19.52 45.14 124.52 -165.41 -116.44 139.15 0.75 99.24 0.01 0.62 0.04 0.00 0.00 0.00 0.00 99.29 0.03 86 Y E E 33.79 15.65 27.41 43.09 130.15 -170.47 -126.08 145.66 1.45 98.52 0.03 1.19 0.10 0.01 0.01 0.01 0.00 98.61 0.06 87 C E E 2.58 25.64 21.25 47.30 123.30 -157.75 -116.00 138.38 6.01 93.59 0.39 4.98 0.60 0.18 0.19 0.15 0.00 93.70 0.20 88 Q E E 32.12 14.53 25.89 40.50 127.06 -169.76 -122.78 142.25 6.59 92.83 0.58 5.68 0.54 0.17 0.27 0.20 0.00 92.84 0.29 89 Q E E 27.24 18.72 18.68 37.20 119.10 -145.14 -103.94 134.09 13.31 85.97 0.72 10.48 2.24 0.71 0.23 0.36 0.00 85.52 0.46 90 Y E E 78.27 11.07 17.77 29.80 116.10 -160.69 -107.65 127.19 27.67 71.26 1.07 20.47 6.16 2.10 0.24 0.70 0.00 69.31 1.02 91 W C E 128.01 8.29 14.31 23.59 112.81 168.08 -106.29 120.10 56.04 42.57 1.38 31.42 16.97 9.06 0.19 1.15 0.00 39.95 1.25 92 S C S 75.97 3.61 14.52 19.05 110.47 -6.38 -104.01 66.43 91.73 7.16 1.11 30.21 37.22 24.31 0.11 1.13 0.00 6.34 0.68 93 F C S 123.20 4.75 13.16 19.51 120.20 0.31 -110.92 137.08 92.59 6.39 1.02 28.74 45.36 18.54 0.11 1.03 0.00 5.42 0.81 94 P C C 77.83 5.43 15.93 22.34 112.90 -26.87 -75.68 147.83 73.35 26.02 0.63 36.66 26.26 9.57 0.07 0.66 0.00 26.04 0.74 95 W E E 84.97 15.37 13.45 28.74 118.08 -125.78 -92.57 135.98 34.91 64.78 0.31 28.75 4.11 1.18 0.05 0.25 0.00 64.90 0.74 96 T E E 48.98 11.09 20.16 31.90 125.97 -168.93 -122.39 140.92 11.53 88.35 0.11 10.08 1.04 0.22 0.04 0.07 0.00 86.81 1.75 97 F E E 63.52 17.43 17.23 33.91 118.38 -139.47 -99.70 133.49 16.64 83.23 0.14 13.99 1.98 0.42 0.04 0.10 0.00 80.95 2.51 98 G C C 20.60 14.33 18.94 32.92 119.06 -154.72 -88.88 -168.92 57.40 42.40 0.20 43.71 10.86 1.96 0.03 0.18 0.00 42.48 0.77 99 G C C 38.92 8.47 22.71 30.89 107.47 -79.88 -83.73 53.77 72.13 27.73 0.14 57.44 11.26 1.39 0.01 0.14 0.00 29.28 0.47 100 G C C 17.64 17.97 16.76 33.48 129.20 -137.70 90.29 175.41 63.08 36.84 0.08 55.39 5.01 0.41 0.01 0.07 0.00 38.65 0.46 101 T E E 33.18 15.36 19.88 35.35 129.11 -113.13 -127.59 145.82 9.11 90.87 0.01 8.38 0.35 0.02 0.00 0.00 0.00 91.03 0.20 102 K E E 100.68 9.99 22.67 32.91 120.34 -137.16 -103.44 134.78 1.00 98.99 0.00 0.87 0.05 0.00 0.00 0.00 0.00 99.04 0.03 103 L E E 14.17 22.52 14.91 37.28 121.72 -163.68 -115.25 133.68 0.92 99.08 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.09 0.02 104 E E E 93.28 5.98 23.33 29.74 119.00 -157.29 -108.70 129.89 2.13 97.86 0.01 2.10 0.06 0.01 0.00 0.00 0.00 97.73 0.09 105 I E E 29.24 20.26 11.17 30.75 115.37 -152.26 -98.58 126.58 18.97 80.98 0.05 19.28 0.22 0.04 0.02 0.02 0.00 79.65 0.77 106 R C C 145.62 4.03 19.53 24.43 115.16 -157.91 -98.21 129.61 99.45 0.54 0.00 99.50 0.05 0.01 0.00 0.00 0.00 0.43 0.01