# 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 K C C 131.35 3.94 12.99 18.59 116.29 -144.15 -91.06 138.77 99.97 0.02 0.00 99.85 0.11 0.02 0.00 0.00 0.00 0.01 0.00 1 P C C 88.92 5.15 10.27 17.15 111.36 -106.32 -69.89 147.10 93.77 0.83 5.40 88.88 0.85 5.07 1.23 3.23 0.00 0.47 0.29 2 E C C 130.76 3.89 10.25 15.87 104.61 -135.44 -81.91 14.37 81.26 6.22 12.52 56.85 12.18 11.59 2.05 11.32 0.00 4.68 1.33 3 K C C 127.65 5.30 11.50 18.34 114.62 41.78 -96.07 132.38 68.49 15.03 16.48 46.00 13.86 9.18 2.50 13.80 0.01 13.17 1.48 4 E C C 104.30 7.21 12.89 21.26 111.48 63.24 -95.45 119.13 59.59 28.35 12.06 42.91 10.12 6.84 2.03 9.31 0.01 27.49 1.29 5 N E E 76.28 10.78 13.62 24.97 125.06 -168.15 -116.09 142.81 46.94 50.85 2.21 37.77 6.25 2.37 0.52 1.45 0.00 50.80 0.84 6 F E E 70.06 12.08 15.20 28.28 126.69 -169.12 -125.16 140.76 20.37 79.28 0.35 18.39 1.47 0.28 0.15 0.16 0.00 78.89 0.66 7 E E E 95.94 9.45 17.58 28.08 120.20 -154.61 -112.63 130.00 10.24 89.62 0.14 9.66 0.39 0.07 0.07 0.04 0.00 89.46 0.31 8 M E E 36.32 16.17 15.82 32.52 123.76 -170.23 -119.31 134.67 8.51 91.36 0.13 7.98 0.30 0.06 0.06 0.03 0.00 91.43 0.14 9 V E E 69.25 9.25 21.23 31.23 118.50 -157.50 -112.20 125.75 8.01 91.89 0.09 7.45 0.35 0.05 0.05 0.03 0.00 91.84 0.23 10 I E E 15.87 20.79 15.30 36.42 118.09 -165.74 -111.84 124.41 12.14 87.77 0.09 11.41 0.52 0.06 0.05 0.03 0.00 87.60 0.33 11 N E E 69.92 6.29 23.64 30.48 107.77 -135.32 -84.58 114.84 27.22 72.57 0.20 26.57 0.62 0.10 0.12 0.06 0.00 71.73 0.80 12 F C C 18.56 23.12 13.12 36.21 96.65 -175.20 -87.78 -9.58 60.42 3.85 35.73 52.07 4.42 4.73 19.06 16.04 0.00 2.99 0.69 13 R H H 126.13 7.37 17.45 26.30 91.45 89.34 -61.21 -32.34 25.05 0.97 73.98 6.18 4.01 13.50 40.82 34.48 0.07 0.66 0.28 14 R H H 144.26 3.35 19.90 23.61 92.59 56.56 -74.04 -20.77 20.60 1.08 78.32 5.39 3.18 10.95 43.35 36.06 0.06 0.77 0.25 15 V H H 23.70 18.45 12.76 30.80 96.03 63.72 -78.04 -22.76 22.12 2.43 75.46 11.16 3.92 6.71 45.79 30.22 0.03 1.74 0.44 16 I H H 63.27 13.61 15.13 28.58 101.03 64.14 -84.44 -9.70 39.60 8.03 52.37 24.52 6.56 9.83 37.72 13.63 0.12 5.52 2.10 17 M C C 120.81 3.81 16.15 21.06 108.95 69.96 -96.85 90.59 63.22 6.40 30.38 41.17 10.11 11.46 25.50 5.68 0.06 3.80 2.23 18 G C C 33.67 6.85 12.65 21.08 130.50 87.60 -141.05 -174.26 89.55 3.63 6.83 50.47 31.75 7.14 5.69 1.67 0.00 1.90 1.38 19 R C C 155.34 2.02 15.84 17.74 115.05 -59.65 -75.28 146.58 92.72 1.88 5.40 64.15 21.98 6.50 3.85 1.72 0.00 0.92 0.89 20 K H H 122.29 7.62 11.86 20.72 95.26 -102.74 -60.38 -37.39 48.98 0.81 50.21 14.26 17.86 18.93 38.71 9.34 0.08 0.32 0.51 21 T H H 90.02 3.69 15.26 19.77 94.06 51.60 -69.69 -32.51 40.25 0.70 59.05 8.39 9.31 22.90 46.54 11.99 0.15 0.34 0.38 22 T H H 71.97 4.18 17.39 22.14 95.23 46.21 -77.21 -26.67 36.37 1.71 61.92 13.94 6.46 16.97 48.49 12.31 0.14 1.01 0.67 23 R H H 44.45 14.98 15.49 30.84 92.73 60.74 -66.14 -39.14 15.85 0.49 83.66 9.55 2.66 4.49 80.22 2.68 0.01 0.22 0.17 24 T H H 24.07 17.39 17.47 34.66 91.95 54.43 -62.44 -42.67 3.43 0.04 96.53 1.69 0.49 1.11 96.18 0.50 0.00 0.02 0.01 25 K H H 113.83 4.11 24.47 28.66 92.05 49.89 -65.03 -40.72 1.36 0.02 98.62 0.49 0.15 0.62 98.33 0.39 0.00 0.01 0.00 26 R H H 92.00 6.75 24.53 31.61 91.75 49.33 -65.09 -41.50 0.49 0.00 99.50 0.13 0.05 0.24 99.36 0.21 0.00 0.00 0.00 27 A H H 3.42 22.81 19.00 42.09 91.66 50.76 -63.39 -43.43 0.25 0.00 99.75 0.06 0.02 0.13 99.70 0.09 0.00 0.00 0.00 28 I H H 24.21 18.73 21.89 39.87 91.45 50.48 -63.11 -42.38 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.04 0.00 0.00 0.00 29 K H H 111.10 3.29 26.66 29.59 91.62 50.36 -63.71 -42.02 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 30 Y H H 59.00 11.60 23.65 35.58 91.94 49.18 -64.69 -42.59 0.06 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 V H H 1.72 26.61 19.04 46.14 91.23 49.61 -63.60 -43.67 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 32 R H H 78.08 14.95 22.27 36.13 91.37 51.05 -62.21 -42.48 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 33 Y H H 120.76 2.88 25.64 27.52 91.51 49.32 -63.81 -42.77 0.14 0.00 99.86 0.00 0.00 0.11 99.88 0.01 0.00 0.00 0.00 34 M H H 26.54 13.29 20.80 35.00 91.94 48.74 -64.18 -43.27 0.34 0.00 99.66 0.02 0.02 0.26 99.64 0.05 0.00 0.00 0.00 35 V H H 4.86 22.97 15.28 38.64 91.64 49.17 -63.67 -43.16 0.51 0.00 99.49 0.05 0.05 0.38 99.34 0.17 0.00 0.00 0.00 36 K H H 95.81 8.78 18.04 27.41 92.26 48.88 -64.44 -41.40 0.43 0.00 99.57 0.02 0.03 0.36 99.46 0.12 0.00 0.00 0.00 37 R H H 157.94 1.85 19.38 20.67 94.10 44.14 -69.63 -40.51 1.61 0.00 98.39 0.03 0.06 1.63 98.09 0.19 0.00 0.00 0.00 38 H H H 84.07 10.19 16.66 27.31 99.68 34.71 -86.02 -37.88 8.58 0.00 91.42 0.08 0.34 8.75 90.51 0.30 0.01 0.00 0.00 39 F H H 53.13 14.89 14.00 29.06 100.81 23.61 -104.63 -11.37 25.41 0.11 74.48 1.35 5.92 17.62 74.48 0.43 0.06 0.02 0.11 40 G C C 53.50 2.07 20.98 22.53 94.79 -121.25 73.77 21.42 99.71 0.12 0.17 80.43 6.70 12.59 0.05 0.10 0.00 0.07 0.05 41 A C C 18.84 18.24 9.24 26.96 118.74 158.60 -79.25 146.34 97.53 1.74 0.73 93.77 2.85 0.93 0.09 0.77 0.00 1.05 0.54 42 E C S 147.78 1.73 19.85 21.35 95.49 -148.54 -81.42 -26.71 97.97 1.64 0.39 11.61 82.45 3.99 0.02 0.43 0.00 1.36 0.14 43 K E E 108.45 4.63 22.31 27.79 131.89 20.86 -139.61 141.90 39.67 59.28 1.05 24.95 10.78 3.88 0.09 1.08 0.00 58.73 0.49 44 V E E 11.62 24.50 12.80 37.21 122.81 -165.97 -121.53 130.53 9.08 90.91 0.02 8.91 0.35 0.02 0.00 0.01 0.00 90.29 0.42 45 I E E 67.42 7.80 26.51 34.81 117.50 -158.18 -107.89 126.52 6.48 93.51 0.00 6.40 0.12 0.00 0.00 0.00 0.00 93.26 0.21 46 I E E 21.79 23.12 14.21 36.86 118.85 -160.43 -105.92 129.37 17.61 82.38 0.01 18.20 0.23 0.01 0.00 0.00 0.00 80.22 1.33 47 D C C 43.89 10.42 17.53 29.13 113.85 -120.07 -73.38 142.74 98.56 1.42 0.02 98.65 0.25 0.01 0.01 0.00 0.00 1.03 0.05 48 P H H 92.68 4.03 17.93 23.11 91.53 -117.37 -60.59 -33.87 2.61 0.00 97.38 0.21 0.22 1.95 96.93 0.68 0.00 0.00 0.00 49 L H H 93.87 3.74 20.12 23.84 91.68 55.34 -64.58 -39.98 0.95 0.00 99.05 0.06 0.06 0.75 98.53 0.59 0.00 0.00 0.00 50 L H H 11.64 20.74 15.17 35.97 91.88 49.36 -64.92 -42.13 0.22 0.00 99.78 0.02 0.02 0.14 99.38 0.44 0.00 0.00 0.00 51 A H H 24.63 15.82 17.13 33.00 91.63 52.18 -62.57 -41.84 0.19 0.00 99.81 0.02 0.01 0.12 99.68 0.17 0.00 0.00 0.00 52 K H H 127.65 1.79 23.43 23.54 91.86 49.99 -64.58 -41.22 0.46 0.00 99.54 0.03 0.02 0.36 99.40 0.19 0.00 0.00 0.00 53 A H H 30.46 9.17 19.47 29.92 91.69 50.06 -65.21 -41.76 1.04 0.00 98.96 0.05 0.05 0.86 98.71 0.33 0.00 0.00 0.00 54 I H H 9.98 23.01 13.80 36.56 91.75 49.59 -64.91 -41.33 3.42 0.02 96.56 0.26 0.24 2.74 95.88 0.86 0.01 0.01 0.00 55 T H H 65.53 8.69 17.33 26.70 92.77 49.68 -70.10 -31.19 17.03 0.15 82.82 2.24 1.71 13.01 79.69 3.15 0.05 0.06 0.09 56 M H H 133.39 1.66 18.84 19.58 93.37 56.97 -70.90 -29.09 37.10 0.32 62.59 2.82 4.77 29.43 58.52 3.97 0.14 0.13 0.22 57 N C H 73.07 7.81 13.40 22.38 101.46 42.70 -97.57 -3.79 57.89 0.99 41.12 10.09 14.81 33.65 36.54 3.74 0.13 0.35 0.70 58 G C C 24.10 6.96 15.99 24.55 126.21 -128.26 85.04 -169.88 77.61 5.16 17.24 46.62 13.34 17.73 8.79 7.47 0.05 1.92 4.09 59 R C T 126.49 11.06 11.94 23.41 92.84 -63.28 -64.68 -27.37 80.91 1.22 17.87 4.87 20.17 56.75 3.21 13.23 0.03 0.57 1.17 60 D C T 121.55 1.21 16.75 17.01 93.94 54.62 -78.50 -13.68 80.38 0.55 19.06 3.71 22.29 56.28 2.96 13.96 0.01 0.25 0.54 61 K C S 123.44 3.99 17.52 22.29 110.05 38.54 -120.24 71.97 86.52 3.06 10.43 22.87 52.95 11.00 2.23 7.02 0.01 1.10 2.81 62 I C C 40.00 19.89 11.53 30.46 116.33 -159.57 -76.21 139.33 97.33 2.46 0.21 86.81 9.91 0.61 0.07 0.13 0.00 1.09 1.38 63 V C C 34.71 14.34 16.88 31.99 113.78 -109.59 -68.56 143.49 95.30 4.57 0.12 94.17 1.57 0.27 0.03 0.07 0.00 2.84 1.05 64 R C S 134.84 7.34 19.38 27.75 97.01 -154.42 -82.36 -24.06 94.18 5.78 0.04 43.84 50.19 0.59 0.00 0.04 0.00 5.01 0.32 65 R E E 105.27 6.97 22.73 30.56 135.50 20.82 -144.73 147.84 29.11 70.84 0.04 23.62 4.82 0.27 0.01 0.05 0.00 70.44 0.80 66 V E E 8.21 24.66 14.74 39.75 124.00 -160.96 -123.37 132.15 8.35 91.64 0.01 8.13 0.22 0.01 0.00 0.00 0.00 91.42 0.21 67 R E E 103.45 7.61 25.93 33.98 116.28 -150.79 -103.05 126.26 5.03 94.97 0.00 4.61 0.18 0.01 0.00 0.00 0.00 95.16 0.05 68 I E E 7.26 25.22 15.66 41.35 122.44 -169.24 -118.57 131.26 2.94 97.06 0.00 2.86 0.04 0.00 0.00 0.00 0.00 97.08 0.02 69 A E E 35.66 7.93 26.45 35.19 117.24 -156.36 -105.14 128.51 2.07 97.93 0.00 2.03 0.03 0.00 0.00 0.00 0.00 97.93 0.02 70 V E E 9.21 25.08 14.18 39.44 124.99 -168.34 -120.24 136.89 2.41 97.59 0.00 2.37 0.03 0.00 0.00 0.00 0.00 97.57 0.02 71 K E E 95.04 5.57 24.90 30.75 125.36 -170.52 -123.76 139.03 1.44 98.55 0.00 1.35 0.04 0.00 0.00 0.00 0.00 98.57 0.04 72 R E E 94.10 15.12 13.30 28.15 113.37 -125.68 -83.79 128.05 5.88 94.11 0.01 5.64 0.17 0.01 0.00 0.00 0.00 93.89 0.28 73 I C C 82.84 7.49 13.57 22.56 115.21 -167.06 -105.64 127.70 57.92 42.05 0.04 56.66 0.49 0.11 0.01 0.02 0.00 42.18 0.52 74 G C C 55.18 1.95 16.27 18.35 111.93 -34.43 82.77 -148.76 99.66 0.33 0.00 99.35 0.29 0.06 0.00 0.00 0.00 0.29 0.01