# 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 120.86 4.58 19.62 24.78 114.92 -134.68 -91.85 128.76 99.55 0.45 0.00 99.47 0.15 0.01 0.00 0.00 0.00 0.35 0.01 1 I E E 44.10 18.91 11.34 29.41 120.91 -159.03 -108.24 131.69 40.56 59.40 0.04 40.10 0.39 0.06 0.01 0.02 0.00 58.85 0.56 2 V E E 71.20 6.38 21.14 28.34 122.15 -165.68 -117.36 134.66 10.12 89.83 0.06 9.48 0.66 0.10 0.02 0.04 0.00 89.15 0.56 3 I E E 43.73 18.96 15.10 33.61 118.48 -154.19 -106.88 126.59 7.66 92.31 0.03 7.24 0.48 0.05 0.01 0.02 0.00 91.25 0.95 4 F E E 76.07 9.83 21.02 31.54 123.16 -171.85 -120.01 132.49 25.56 74.42 0.03 22.87 1.91 0.10 0.01 0.02 0.00 74.51 0.58 5 P C C 54.03 12.17 19.75 31.74 114.99 -72.23 -69.62 151.77 60.07 39.84 0.10 47.20 11.88 0.58 0.02 0.09 0.00 39.11 1.11 6 N C C 34.82 15.24 17.95 33.61 108.33 -126.43 -87.67 116.44 89.17 10.57 0.25 82.38 6.31 0.58 0.09 0.18 0.00 7.47 2.99 7 P C T 36.55 16.45 17.08 33.80 94.11 -150.31 -67.91 -17.04 75.88 0.86 23.26 5.78 8.08 58.12 0.78 26.42 0.00 0.52 0.30 8 S C T 52.71 10.15 17.36 27.78 99.22 52.03 -84.30 -23.76 75.37 0.97 23.67 2.26 6.67 63.44 0.76 25.92 0.00 0.59 0.36 9 D C T 97.04 3.55 20.02 23.59 100.88 16.39 -100.56 2.24 74.27 1.38 24.35 4.76 11.00 54.82 0.76 27.34 0.00 0.83 0.49 10 G C C 25.24 14.10 14.34 28.27 98.95 -114.07 80.92 7.67 93.03 5.19 1.78 39.82 26.53 27.05 0.26 1.64 0.00 3.78 0.92 11 N E E 80.56 6.44 21.26 28.53 122.13 124.56 -108.79 141.72 47.69 52.06 0.25 39.27 7.17 0.89 0.06 0.24 0.00 50.14 2.23 12 F E E 22.98 22.81 13.58 35.86 125.24 -168.29 -123.69 135.68 11.14 88.83 0.03 10.11 0.79 0.05 0.01 0.02 0.00 88.49 0.53 13 N E E 76.04 7.25 25.00 32.69 120.97 -160.78 -115.76 129.20 3.15 96.84 0.01 2.80 0.17 0.01 0.00 0.00 0.00 96.91 0.11 14 I E E 12.27 24.05 14.50 38.59 120.09 -166.95 -114.80 128.08 2.90 97.10 0.01 2.79 0.10 0.01 0.00 0.00 0.00 96.88 0.22 15 G E E 32.60 7.26 23.97 31.42 122.75 -167.88 -112.90 137.23 12.22 87.74 0.04 10.85 0.95 0.12 0.01 0.02 0.00 87.60 0.45 16 L C C 37.08 20.10 12.15 30.95 123.42 -172.70 -122.44 133.40 56.05 43.33 0.63 49.66 4.02 1.06 0.12 0.50 0.00 43.61 1.04 17 N C T 107.80 3.35 18.21 22.25 112.43 -157.30 -96.18 132.35 78.97 19.30 1.73 25.63 21.72 32.33 0.12 1.76 0.00 17.45 0.97 18 N C T 107.74 4.22 17.17 22.27 102.27 1.35 -21.09 71.58 89.22 8.98 1.79 30.55 23.65 35.44 0.14 1.95 0.00 7.36 0.91 19 F C C 54.55 17.30 8.99 25.23 116.21 165.63 -99.12 131.90 87.85 10.68 1.47 65.83 15.15 6.40 0.26 1.65 0.00 7.77 2.95 20 N C C 127.73 1.59 18.67 19.72 99.42 -163.65 -95.65 -1.38 92.88 6.65 0.47 45.57 41.80 5.94 0.06 0.53 0.00 4.85 1.25 21 F C S 94.37 6.57 16.61 24.55 127.83 63.82 -117.78 148.39 93.56 6.37 0.08 13.56 78.99 1.18 0.01 0.06 0.00 5.79 0.41 22 P C C 76.15 7.17 18.78 26.63 113.28 -96.52 -67.01 141.72 85.75 14.17 0.08 74.58 9.13 0.68 0.01 0.09 0.00 15.13 0.37 23 Y E E 25.96 20.65 13.75 34.17 131.71 -175.05 -132.10 150.30 7.22 92.76 0.02 6.56 0.46 0.04 0.00 0.01 0.00 92.57 0.35 24 S E E 38.55 8.51 25.22 34.41 122.87 -144.24 -113.31 137.67 1.64 98.36 0.00 1.37 0.08 0.01 0.00 0.00 0.00 98.53 0.01 25 L E E 4.62 25.58 16.33 42.61 126.36 -169.47 -122.50 139.29 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 26 E E E 45.90 10.84 27.19 38.90 122.51 -161.84 -117.14 135.47 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 27 I E E 4.58 24.58 19.48 44.83 118.25 -156.20 -109.41 126.39 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.96 0.00 28 F E E 30.56 12.41 23.15 36.70 129.58 -176.70 -125.01 149.34 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.01 29 S E E 16.23 14.72 18.69 34.01 123.04 -122.15 -79.99 170.97 48.39 51.58 0.03 47.23 0.53 0.11 0.00 0.02 0.00 51.60 0.52 30 F C T 88.57 15.16 15.91 30.86 91.45 -96.17 -65.55 -19.35 99.52 0.20 0.28 0.16 1.89 97.58 0.00 0.22 0.00 0.12 0.02 31 T C T 91.83 2.83 18.79 21.38 92.80 56.15 -89.03 -0.52 99.66 0.07 0.27 0.12 1.83 97.81 0.01 0.19 0.00 0.03 0.01 32 G C S 33.38 11.27 13.09 24.80 96.71 -105.81 85.78 7.27 99.51 0.31 0.18 29.81 68.71 1.07 0.03 0.13 0.00 0.14 0.12 33 Q C C 103.64 2.91 18.31 21.99 117.33 140.68 -81.09 139.98 97.12 2.84 0.04 96.46 1.21 0.09 0.01 0.02 0.00 1.37 0.83 34 K E E 106.89 10.26 14.42 25.71 110.08 -113.51 -72.96 125.73 0.98 99.02 0.00 0.98 0.04 0.00 0.00 0.00 0.00 98.06 0.91 35 V E E 49.83 12.56 15.36 28.84 102.01 174.30 -99.68 -31.45 1.01 98.98 0.00 0.66 0.27 0.01 0.00 0.00 0.00 99.05 0.01 36 F E E 59.18 10.74 18.03 30.26 140.37 -0.02 -155.27 149.94 0.40 99.60 0.00 0.30 0.04 0.00 0.00 0.00 0.00 99.65 0.00 37 E E E 94.89 13.04 15.23 28.92 128.56 -169.84 -137.66 136.83 1.80 98.19 0.01 1.59 0.08 0.01 0.00 0.00 0.00 98.30 0.01 38 K E E 80.42 9.99 17.88 28.88 128.50 -176.02 -133.07 139.42 5.14 94.84 0.02 4.34 0.35 0.04 0.00 0.01 0.00 95.20 0.06 39 Q E E 105.21 7.79 17.11 26.35 119.46 -153.83 -107.81 133.24 13.32 86.60 0.08 10.72 2.01 0.32 0.01 0.07 0.00 86.53 0.33 40 N E E 59.84 12.59 14.61 27.40 116.59 -162.98 -121.18 117.54 43.11 56.50 0.39 35.29 5.77 1.48 0.08 0.36 0.00 55.87 1.15 41 A C C 60.72 8.01 15.05 24.01 106.58 -157.02 -90.95 51.89 72.66 26.40 0.93 44.31 20.34 8.09 0.13 1.00 0.00 24.73 1.40 42 S C S 68.35 5.82 15.25 22.15 107.72 60.24 -97.02 13.29 87.03 12.00 0.97 33.85 38.89 14.26 0.11 1.01 0.00 10.80 1.08 43 D C C 94.49 5.09 16.70 22.95 112.18 23.13 -100.25 107.07 88.83 10.30 0.87 49.64 29.75 9.01 0.10 0.93 0.00 9.79 0.77 44 S C C 46.35 13.42 13.49 26.91 107.49 -159.88 -96.48 53.68 74.13 25.38 0.48 52.02 17.91 2.82 0.07 0.49 0.00 25.94 0.76 45 I E E 93.67 7.35 19.14 27.54 123.12 76.83 -116.14 133.90 20.42 79.44 0.14 17.52 2.50 0.34 0.04 0.11 0.00 78.01 1.49 46 I E E 21.64 20.42 13.55 33.91 121.24 -165.48 -116.96 130.78 8.23 91.73 0.04 7.62 0.55 0.06 0.01 0.03 0.00 90.63 1.10 47 S E E 58.55 5.56 23.84 29.58 111.72 -142.81 -95.15 122.05 14.93 85.00 0.08 14.32 0.60 0.08 0.02 0.05 0.00 83.63 1.29 48 V C C 12.27 23.04 11.68 34.73 101.92 -176.72 -102.26 16.82 77.04 9.53 13.43 69.82 3.26 3.46 0.95 13.03 0.00 8.91 0.57 49 S C T 71.74 4.74 18.39 24.45 93.92 118.27 -68.63 -19.51 78.76 3.46 17.78 13.95 14.37 49.21 0.63 18.74 0.00 2.52 0.58 50 Y C T 162.86 2.69 19.43 22.24 97.38 48.89 -94.64 11.83 80.90 2.09 17.01 13.78 14.68 50.94 0.62 18.10 0.00 1.41 0.45 51 L C C 23.04 22.13 9.38 30.19 118.16 120.86 -82.94 139.67 98.16 1.63 0.21 69.56 28.24 0.48 0.06 0.14 0.00 0.63 0.90 52 P C C 68.65 4.95 20.95 26.02 117.05 -107.43 -67.55 154.46 99.41 0.53 0.06 91.18 6.98 1.32 0.01 0.05 0.00 0.31 0.15 53 S C S 69.96 7.54 17.60 26.43 116.30 -95.14 -70.04 145.52 96.87 3.05 0.08 17.95 75.12 3.89 0.01 0.08 0.00 2.71 0.23 54 G E E 19.27 5.72 21.76 29.64 139.19 71.13 139.10 -169.34 29.76 70.21 0.04 10.21 19.30 0.75 0.00 0.04 0.00 69.16 0.54 55 I E E 53.69 11.61 21.27 33.83 119.90 -44.88 -100.72 135.13 3.13 96.87 0.00 2.92 0.14 0.00 0.00 0.00 0.00 96.88 0.06 56 Y E E 9.91 23.27 18.20 41.73 127.89 -172.06 -125.31 144.53 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 57 I E E 25.62 13.64 26.20 40.74 116.24 -142.50 -105.18 125.62 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 58 V E E 2.92 25.48 19.65 45.96 119.79 -165.63 -111.85 128.44 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 59 K E E 50.08 11.00 26.46 38.22 116.68 -158.28 -106.49 125.23 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 60 I E E 6.39 23.48 16.58 40.87 120.61 -165.90 -114.00 130.46 0.26 99.74 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 61 E E E 69.32 8.23 20.96 30.24 120.97 -165.00 -115.23 131.86 2.32 97.67 0.01 1.91 0.18 0.02 0.00 0.00 0.00 97.83 0.05 62 K E E 66.84 12.39 11.99 25.02 120.02 175.13 -130.60 121.92 20.68 79.22 0.11 16.04 3.52 0.73 0.01 0.09 0.00 79.24 0.37 63 D C T 121.18 1.38 14.89 16.23 100.25 -40.75 52.65 -76.98 99.10 0.57 0.33 1.75 23.65 73.74 0.01 0.34 0.00 0.43 0.07 64 S C T 100.35 1.00 12.91 13.80 96.86 -27.62 -88.43 4.48 99.23 0.47 0.30 2.20 23.76 73.27 0.01 0.33 0.00 0.37 0.06 65 K E E 111.83 4.26 14.02 20.19 124.07 95.95 -111.71 141.59 23.03 76.92 0.05 18.17 4.09 0.41 0.00 0.05 0.00 76.94 0.33 66 T E E 61.76 12.99 12.42 25.85 124.70 -160.39 -121.53 137.42 5.59 94.41 0.00 5.02 0.18 0.01 0.00 0.00 0.00 94.75 0.04 67 T E E 40.93 10.18 18.82 30.46 126.65 -171.13 -124.75 142.68 0.95 99.05 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.11 0.01 68 I E E 64.41 14.87 16.82 31.68 123.56 -161.36 -121.45 133.10 0.52 99.48 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.51 0.00 69 K E E 65.31 12.19 19.55 32.20 127.40 -173.94 -125.80 143.43 0.64 99.36 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.00 70 K E E 87.53 11.17 20.39 31.76 117.43 -135.19 -96.33 132.50 0.66 99.34 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.37 0.00 71 I E E 20.44 18.90 16.38 35.71 119.09 -163.57 -113.18 128.06 1.44 98.56 0.00 1.34 0.01 0.00 0.00 0.00 0.00 98.64 0.01 72 I E E 59.98 9.17 20.44 30.85 116.11 -155.39 -105.41 124.59 1.23 98.77 0.00 1.16 0.02 0.00 0.00 0.00 0.00 98.76 0.06 73 I E E 41.64 15.42 13.53 29.59 115.93 -158.58 -103.05 124.80 13.84 86.14 0.02 13.78 0.19 0.03 0.01 0.01 0.00 85.62 0.36 74 N C C 82.07 7.65 17.91 26.15 110.25 -154.68 -90.26 110.34 99.51 0.48 0.00 99.53 0.09 0.02 0.00 0.00 0.00 0.35 0.01