# 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 M C C 58.67 17.49 14.10 30.65 118.01 -135.40 -91.78 133.77 99.97 0.03 0.00 99.90 0.07 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 57.82 9.09 17.41 27.48 115.60 -118.08 -70.65 151.17 94.77 5.09 0.14 94.46 0.54 0.52 0.03 0.06 0.00 3.63 0.75 2 Q C C 100.51 8.82 16.21 26.01 117.91 -137.75 -97.45 134.01 66.72 32.94 0.33 57.76 7.31 1.14 0.13 0.27 0.00 22.10 11.29 3 Y C C 43.01 16.13 11.48 27.96 122.44 -163.07 -114.86 138.31 70.99 28.82 0.19 70.63 1.62 0.21 0.08 0.09 0.00 19.28 8.08 4 Q C S 128.43 3.25 18.30 22.39 99.30 -168.71 -94.75 -18.19 99.12 0.83 0.05 41.15 57.85 0.35 0.02 0.03 0.00 0.46 0.14 5 T C S 60.43 3.54 20.81 24.22 135.57 24.23 -139.07 161.96 97.49 1.71 0.81 14.46 82.77 0.51 0.77 0.07 0.00 0.29 1.13 6 W H H 78.30 16.68 11.87 28.47 91.26 -110.85 -59.22 -38.18 1.70 0.00 98.29 0.13 0.23 1.22 97.54 0.88 0.00 0.00 0.00 7 E H H 127.38 2.17 19.09 21.10 91.42 54.21 -63.06 -40.14 0.82 0.00 99.18 0.05 0.05 0.63 98.17 1.09 0.00 0.00 0.00 8 E H H 81.52 4.49 18.98 24.16 91.65 49.57 -65.08 -40.58 0.34 0.00 99.66 0.03 0.02 0.23 98.35 1.36 0.00 0.00 0.00 9 F H H 16.54 20.37 14.45 34.90 91.94 50.05 -64.51 -43.13 0.22 0.00 99.78 0.03 0.01 0.13 99.61 0.22 0.00 0.00 0.00 10 S H H 33.51 13.04 19.69 32.86 91.53 51.06 -63.10 -41.94 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 11 R H H 137.31 1.98 25.04 25.41 91.77 49.75 -64.20 -42.02 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 12 A H H 23.05 9.37 21.30 32.19 91.50 49.83 -64.11 -42.04 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 13 A H H 4.32 23.12 16.63 40.05 91.39 50.71 -63.37 -42.20 0.10 0.00 99.90 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 14 E H H 77.83 9.87 22.07 32.05 91.40 51.59 -62.71 -41.85 0.07 0.00 99.93 0.01 0.00 0.04 99.95 0.01 0.00 0.00 0.00 15 K H H 121.96 1.97 24.47 24.82 91.62 49.85 -64.19 -41.49 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 16 L H H 25.36 13.79 17.94 32.74 91.90 49.88 -64.53 -42.34 0.09 0.00 99.91 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 17 Y H H 38.85 19.03 14.54 33.08 91.98 49.85 -64.91 -40.07 0.32 0.00 99.68 0.01 0.01 0.26 99.61 0.11 0.00 0.00 0.00 18 L H H 110.48 3.57 18.24 22.40 92.22 50.05 -68.03 -34.60 2.07 0.00 97.93 0.04 0.06 1.96 97.79 0.16 0.00 0.00 0.00 19 A H H 75.25 2.21 17.34 19.34 95.11 47.24 -76.85 -31.75 6.51 0.01 93.49 0.13 0.62 5.61 93.49 0.15 0.00 0.00 0.00 20 D C C 60.76 7.35 14.99 23.95 113.69 14.90 -138.66 79.47 99.73 0.07 0.19 88.20 11.06 0.46 0.14 0.04 0.00 0.02 0.08 21 P H G 46.88 17.33 10.88 27.92 93.33 173.25 -62.82 -26.55 39.78 0.20 60.01 3.25 2.05 28.45 0.68 65.38 0.00 0.13 0.06 22 M H G 126.83 4.08 18.81 23.78 90.92 63.79 -72.25 -16.96 43.65 0.25 56.10 0.62 2.27 37.92 0.57 58.36 0.00 0.15 0.10 23 K H G 116.54 4.77 20.05 25.30 96.67 51.02 -97.26 -1.65 41.46 1.27 57.27 4.29 5.34 27.75 0.56 60.97 0.00 0.94 0.16 24 A E E 10.03 22.60 11.23 33.26 124.93 94.60 -102.45 145.59 39.82 60.13 0.05 34.92 4.18 0.12 0.01 0.04 0.00 60.22 0.51 25 R E E 100.33 7.28 25.57 33.38 126.31 -167.21 -124.37 141.10 3.21 96.78 0.01 2.99 0.13 0.01 0.00 0.00 0.00 96.79 0.07 26 V E E 25.49 22.15 16.17 37.75 122.77 -154.03 -114.90 132.28 0.56 99.44 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.45 0.01 27 V E E 46.73 8.97 23.92 33.68 124.50 -171.41 -124.19 134.59 0.50 99.50 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.55 0.00 28 L E E 42.48 19.55 15.94 34.74 123.24 -165.12 -116.49 133.08 0.40 99.60 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.64 0.00 29 K E E 86.07 7.23 23.38 31.22 129.79 -177.29 -131.35 146.18 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 30 Y E E 79.90 14.99 14.02 29.15 118.24 -138.05 -102.67 129.25 0.63 99.37 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.37 0.03 31 R E E 85.98 6.88 15.62 24.41 110.02 -155.15 -105.26 110.79 10.04 89.94 0.01 9.56 0.41 0.03 0.00 0.01 0.00 89.62 0.38 32 H C T 123.18 6.07 11.68 19.75 93.51 -163.62 -63.94 -33.78 92.19 0.50 7.31 0.64 3.00 87.82 0.11 8.02 0.00 0.34 0.07 33 S C T 97.49 0.61 14.23 13.28 93.60 52.07 -69.60 -35.54 91.74 0.14 8.12 0.35 2.04 89.06 0.11 8.33 0.00 0.07 0.04 34 D C T 88.46 3.05 14.85 18.46 99.30 26.49 -102.30 -10.53 93.41 0.12 6.47 0.53 2.31 89.95 0.10 7.00 0.00 0.07 0.03 35 G C T 20.92 11.45 13.52 26.63 95.82 -122.55 74.19 13.53 99.44 0.28 0.28 21.02 6.69 71.77 0.05 0.21 0.00 0.23 0.03 36 N E E 51.60 8.62 20.28 30.03 121.76 137.56 -85.68 147.53 24.51 75.46 0.02 22.44 1.30 0.16 0.00 0.02 0.00 75.40 0.68 37 L E E 10.38 22.30 16.65 39.39 120.67 -143.81 -109.41 133.85 0.45 99.55 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.02 38 C E E 24.10 11.63 24.93 37.68 122.33 -165.98 -115.96 132.59 0.17 99.83 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 39 V E E 9.17 22.76 18.66 41.56 122.07 -167.50 -118.51 129.81 0.09 99.91 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 40 K E E 64.27 10.28 24.87 35.59 119.76 -166.04 -113.15 130.00 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 41 V E E 16.56 19.23 16.96 36.60 122.16 -170.39 -117.53 135.02 1.40 98.60 0.00 1.21 0.05 0.00 0.00 0.00 0.00 98.71 0.03 42 T E E 45.22 9.55 18.13 28.86 130.47 168.47 -134.79 158.00 23.34 76.61 0.05 18.18 4.50 0.37 0.01 0.04 0.00 76.42 0.49 43 D C C 72.41 7.78 16.15 24.62 109.23 -132.33 -107.01 57.79 84.28 15.42 0.31 46.35 31.50 5.59 0.04 0.32 0.00 15.45 0.76 44 D C S 107.58 4.33 15.23 20.53 95.76 -68.47 -68.53 -5.62 98.89 0.71 0.40 11.71 69.00 18.24 0.04 0.36 0.00 0.53 0.13 45 L C S 103.89 4.72 15.39 20.95 106.81 37.56 -106.59 -25.27 92.07 7.56 0.37 16.93 63.05 11.72 0.04 0.35 0.00 7.43 0.48 46 V E E 69.51 7.46 16.47 25.18 122.24 25.41 -117.58 132.98 35.34 64.58 0.07 30.49 3.30 0.30 0.01 0.06 0.00 65.17 0.65 47 C E E 35.63 15.62 14.81 30.72 124.43 -166.17 -119.13 134.64 8.24 91.75 0.01 7.42 0.39 0.02 0.00 0.00 0.00 92.04 0.12 48 L E E 33.37 13.68 19.65 34.44 120.42 -161.62 -112.07 131.29 0.78 99.22 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.24 0.01 49 V E E 51.76 13.14 20.28 33.80 120.79 -162.18 -114.94 129.03 0.29 99.71 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 50 Y E E 41.63 15.78 18.17 34.46 129.39 -174.86 -128.71 145.77 1.03 98.97 0.00 0.99 0.03 0.00 0.00 0.00 0.00 98.94 0.04 51 K E E 106.82 7.59 21.83 30.14 119.35 -141.26 -102.59 134.06 12.64 87.30 0.06 11.47 0.88 0.09 0.02 0.03 0.00 87.21 0.31 52 T C C 19.27 19.14 11.69 30.42 130.03 -166.69 -130.74 152.55 62.22 36.10 1.67 55.98 3.98 1.05 0.66 0.86 0.00 36.07 1.40 53 D C S 112.73 2.39 18.96 21.57 96.85 -143.64 -86.81 -6.26 94.78 3.01 2.21 35.07 55.61 4.58 0.92 1.01 0.00 2.33 0.47 54 Q C C 83.00 7.38 15.13 23.84 112.35 83.83 -98.55 119.82 87.77 1.68 10.55 59.88 21.62 6.12 7.83 2.93 0.00 0.77 0.84 55 A H H 59.84 8.01 13.66 23.14 94.87 -155.45 -64.51 -33.02 20.87 0.30 78.83 9.11 3.72 7.81 62.87 16.20 0.01 0.16 0.11 56 Q H H 117.03 2.20 18.26 20.13 92.88 58.68 -65.40 -35.01 14.40 0.20 85.40 3.88 2.24 7.76 70.62 15.28 0.03 0.11 0.08 57 D H H 43.76 10.37 15.40 27.08 92.96 51.44 -69.64 -33.54 11.12 0.20 88.68 4.08 1.43 5.21 73.82 15.26 0.02 0.12 0.06 58 V H H 28.54 15.71 13.75 29.95 92.71 55.83 -64.73 -40.82 3.17 0.03 96.80 1.45 0.46 1.21 95.23 1.63 0.00 0.01 0.01 59 K H H 118.72 2.66 20.65 22.95 91.73 51.87 -63.77 -40.65 1.04 0.01 98.95 0.35 0.10 0.47 98.55 0.51 0.00 0.00 0.00 60 K H H 102.01 4.27 20.05 24.51 91.99 50.76 -64.89 -41.19 0.79 0.00 99.21 0.21 0.07 0.41 98.87 0.44 0.00 0.00 0.00 61 I H H 30.37 15.61 15.77 31.94 92.09 50.36 -64.61 -41.95 0.46 0.00 99.53 0.10 0.04 0.24 99.36 0.25 0.00 0.00 0.00 62 E H H 85.30 6.91 19.23 26.89 91.82 51.54 -63.80 -40.91 0.44 0.00 99.56 0.10 0.03 0.23 99.52 0.12 0.00 0.00 0.00 63 K H H 122.00 2.01 20.58 21.56 91.82 50.20 -64.66 -41.28 0.72 0.00 99.28 0.12 0.04 0.44 99.26 0.14 0.00 0.00 0.00 64 F H H 69.19 9.03 17.36 27.48 92.15 49.76 -64.89 -41.82 0.68 0.00 99.32 0.11 0.04 0.40 99.30 0.13 0.00 0.00 0.00 65 H H H 72.90 9.95 17.24 27.87 91.85 50.48 -63.97 -41.03 0.68 0.00 99.32 0.14 0.05 0.37 99.35 0.10 0.00 0.00 0.00 66 S H H 55.69 3.07 19.05 21.91 91.51 50.79 -64.17 -40.91 0.90 0.00 99.10 0.13 0.05 0.54 99.17 0.11 0.00 0.00 0.00 67 Q H H 86.46 4.39 18.24 23.15 91.96 50.29 -65.30 -40.96 0.71 0.00 99.29 0.11 0.04 0.41 99.32 0.11 0.00 0.00 0.00 68 L H H 59.51 9.39 15.86 26.16 91.83 50.79 -64.23 -41.65 0.55 0.00 99.45 0.10 0.03 0.30 99.45 0.11 0.00 0.00 0.00 69 M H H 95.41 3.95 17.77 22.11 91.71 50.18 -64.07 -40.97 0.45 0.00 99.55 0.08 0.03 0.24 99.52 0.13 0.00 0.00 0.00 70 R H H 137.25 2.13 18.03 19.86 91.96 50.72 -64.60 -41.10 0.50 0.00 99.50 0.08 0.03 0.29 99.45 0.15 0.00 0.00 0.00 71 L H H 71.50 6.12 16.22 23.38 92.03 49.67 -64.73 -41.25 0.77 0.00 99.23 0.12 0.05 0.46 99.18 0.20 0.00 0.00 0.00 72 M H H 81.75 5.44 16.48 22.86 92.11 49.95 -64.52 -41.16 1.38 0.01 98.61 0.29 0.11 0.78 98.53 0.28 0.00 0.00 0.00 73 V H H 78.50 2.66 17.08 19.59 92.04 49.59 -64.90 -40.62 3.23 0.02 96.74 0.70 0.32 1.87 96.67 0.43 0.00 0.01 0.01 74 A H H 51.46 3.64 15.07 19.72 92.31 50.83 -65.69 -38.92 6.97 0.05 92.98 1.93 0.81 3.74 92.83 0.65 0.00 0.02 0.02 75 K H H 107.88 4.06 14.93 19.89 92.32 52.34 -65.75 -40.34 7.23 0.06 92.71 2.67 1.12 3.27 91.89 0.99 0.00 0.03 0.02 76 E H H 107.99 2.44 15.15 17.79 92.42 50.54 -65.26 -40.00 6.95 0.08 92.97 2.92 0.96 2.94 91.90 1.22 0.00 0.04 0.02 77 A H H 59.64 2.45 14.05 17.13 92.31 50.75 -65.18 -39.90 8.15 0.10 91.75 3.37 1.09 3.57 90.32 1.57 0.00 0.05 0.03 78 R H H 131.23 2.82 13.22 16.81 92.68 51.07 -66.35 -38.87 11.03 0.17 88.80 4.44 1.59 5.04 86.83 1.95 0.01 0.09 0.06 79 N H H 94.98 2.18 12.92 15.67 93.17 51.61 -66.99 -37.92 16.80 0.33 82.86 7.64 2.42 7.08 80.26 2.29 0.01 0.18 0.12 80 V H H 93.53 1.91 11.71 14.17 94.11 52.19 -68.95 -37.09 20.77 0.63 78.60 10.04 3.58 8.04 74.91 2.84 0.02 0.35 0.21 81 T H H 91.99 1.96 10.41 13.21 95.40 53.98 -72.71 -27.36 29.30 1.04 69.66 15.36 4.60 10.16 66.01 2.94 0.02 0.56 0.35 82 M H H 131.47 1.86 8.94 11.91 98.26 59.41 -78.03 -15.21 42.28 1.96 55.76 22.12 6.80 14.33 51.67 3.32 0.03 1.07 0.67 83 E C H 141.85 1.72 8.01 11.09 104.92 78.40 -82.41 52.61 58.78 3.13 38.09 33.62 8.76 15.76 36.20 2.87 0.02 1.74 1.04 84 T C C 105.01 1.87 7.38 10.85 110.24 92.85 -90.42 111.28 81.17 1.52 17.31 65.08 1.82 12.55 17.52 1.54 0.00 0.83 0.66 85 E C C 149.38 1.80 10.01 13.15 108.36 -143.56 -87.02 105.70 99.96 0.03 0.02 99.87 0.05 0.05 0.01 0.00 0.00 0.01 0.00