# 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 117.50 4.65 10.09 16.52 116.93 -148.74 -95.66 134.39 99.94 0.05 0.01 99.82 0.13 0.02 0.00 0.00 0.00 0.02 0.01 1 P C C 101.39 2.66 8.43 12.98 112.86 -109.54 -69.12 144.99 94.58 1.13 4.29 91.50 0.82 3.38 1.38 1.83 0.00 0.54 0.54 2 V C C 126.09 1.39 6.52 9.43 112.26 -137.47 -91.46 125.93 82.49 3.92 13.60 54.27 14.10 13.71 3.45 10.48 0.00 2.09 1.91 3 I C C 134.22 1.83 6.37 9.89 116.12 -144.84 -99.08 133.32 77.88 5.29 16.82 48.95 15.36 13.41 4.03 13.20 0.00 3.23 1.80 4 N C C 128.99 1.38 7.47 10.28 113.99 -143.29 -94.20 129.67 79.41 5.04 15.55 59.30 10.80 8.87 4.25 11.81 0.00 3.28 1.69 5 I C C 129.03 2.63 6.51 10.98 114.52 -162.14 -96.14 130.00 84.39 5.16 10.45 59.56 15.49 9.38 3.72 6.64 0.00 3.20 2.01 6 E C C 156.29 1.16 8.74 10.88 114.54 -148.33 -93.94 131.01 87.84 4.26 7.90 61.12 18.11 8.71 3.31 4.43 0.00 2.44 1.88 7 D C C 105.50 3.07 7.29 12.31 116.62 -133.50 -92.94 134.56 94.98 1.81 3.21 70.17 22.45 2.54 1.99 1.11 0.00 0.92 0.83 8 P C C 97.27 3.15 8.80 13.74 112.30 -110.38 -70.27 145.81 89.04 1.75 9.21 69.95 10.49 8.80 4.91 4.07 0.00 1.07 0.70 9 V C C 116.62 2.22 8.84 12.81 114.11 -127.58 -88.69 131.71 80.62 6.23 13.15 60.60 11.92 7.89 7.47 5.82 0.00 3.88 2.41 10 I C C 98.13 5.96 8.13 15.81 117.05 -152.46 -99.64 133.98 77.67 8.90 13.43 60.39 11.13 5.53 9.09 4.76 0.01 5.83 3.25 11 N C C 94.66 3.36 12.05 16.73 111.89 -149.79 -97.43 119.77 82.69 6.07 11.25 71.52 6.35 4.69 7.63 3.57 0.00 3.76 2.49 12 I H G 92.65 8.45 8.58 18.14 95.50 -157.14 -70.25 -23.32 46.03 2.11 51.86 25.08 7.51 14.14 15.95 35.33 0.01 1.21 0.78 13 E H G 147.46 1.54 12.30 14.39 93.72 67.95 -69.18 -25.33 46.66 1.01 52.33 8.95 7.92 28.68 16.16 37.11 0.06 0.54 0.58 14 D H G 110.83 1.66 12.13 14.20 97.15 50.40 -91.22 -2.91 47.36 1.07 51.57 12.42 9.25 26.17 13.07 37.93 0.03 0.54 0.60 15 L C C 62.78 10.05 7.11 17.95 114.84 96.05 -87.37 137.02 75.27 1.88 22.86 51.84 16.72 6.66 17.58 5.24 0.00 0.68 1.27 16 T C C 83.01 2.76 12.97 16.59 111.13 -135.50 -81.60 159.16 77.97 1.48 20.55 57.69 11.94 6.81 19.37 2.81 0.00 0.62 0.76 17 E H H 119.05 3.12 12.96 17.12 101.52 -96.47 -70.79 -35.42 45.40 1.16 53.45 27.39 14.00 5.08 50.84 1.81 0.01 0.38 0.49 18 K H H 119.23 4.95 12.18 18.43 93.79 53.73 -64.05 -39.64 7.04 0.09 92.87 3.01 1.40 2.93 91.22 1.35 0.01 0.04 0.04 19 D H H 88.63 2.03 14.95 17.06 92.32 51.18 -65.84 -39.34 5.23 0.10 94.67 2.52 0.76 2.23 92.99 1.40 0.01 0.06 0.03 20 K H H 106.17 3.12 15.51 19.26 92.32 50.28 -65.79 -40.23 2.65 0.05 97.29 1.35 0.37 1.08 96.21 0.95 0.00 0.03 0.01 21 L H H 54.13 8.42 13.38 23.46 92.01 50.86 -64.66 -41.31 1.88 0.03 98.09 0.94 0.22 0.75 97.63 0.44 0.00 0.02 0.01 22 K H H 109.26 4.01 17.09 21.90 91.88 51.37 -64.06 -40.89 1.32 0.02 98.67 0.60 0.14 0.54 98.47 0.24 0.00 0.01 0.00 23 M H H 97.99 2.33 18.35 20.05 91.98 50.10 -64.95 -41.12 1.00 0.01 98.98 0.42 0.10 0.43 98.87 0.17 0.00 0.01 0.00 24 E H H 79.37 5.72 17.52 24.30 92.30 50.54 -64.90 -41.23 0.77 0.01 99.23 0.27 0.07 0.36 99.17 0.13 0.00 0.00 0.00 25 V H H 46.41 9.11 15.77 26.31 91.90 50.17 -64.22 -41.82 0.73 0.01 99.26 0.23 0.07 0.36 99.20 0.13 0.00 0.00 0.00 26 D H H 75.48 2.75 18.74 21.30 91.52 50.83 -64.06 -40.68 1.01 0.01 98.98 0.27 0.08 0.54 98.93 0.17 0.00 0.00 0.00 27 Q H H 90.84 2.55 17.73 20.10 91.95 50.42 -64.73 -40.47 1.76 0.01 98.22 0.38 0.15 1.06 98.07 0.33 0.00 0.01 0.00 28 L H H 56.44 8.45 13.93 23.94 92.25 51.13 -65.06 -40.11 2.34 0.02 97.65 0.60 0.23 1.34 97.05 0.75 0.00 0.01 0.01 29 K H H 105.09 6.20 14.67 22.10 91.93 52.78 -64.53 -38.06 4.82 0.04 95.13 1.06 0.46 3.13 93.89 1.41 0.01 0.02 0.02 30 K H H 143.43 1.23 16.32 16.50 92.95 50.96 -68.40 -36.42 11.47 0.08 88.45 1.51 1.10 8.68 86.87 1.73 0.04 0.03 0.04 31 E H H 113.02 3.04 14.16 17.89 96.05 47.67 -78.41 -28.23 23.96 0.27 75.77 4.65 3.66 15.85 73.81 1.73 0.05 0.10 0.15 32 V C H 58.90 9.63 9.07 19.67 105.01 64.05 -92.43 20.56 57.25 1.22 41.53 31.35 10.99 14.33 39.93 2.29 0.02 0.45 0.64 33 T C C 98.43 2.25 13.45 16.33 99.98 83.32 -76.92 -8.33 68.67 1.10 30.23 43.31 8.23 15.07 29.43 2.93 0.00 0.50 0.51 34 L C H 101.72 3.78 11.45 16.53 103.98 77.46 -81.37 -24.72 61.48 1.29 37.23 30.62 18.05 12.56 33.71 3.90 0.02 0.56 0.58 35 E C C 117.20 3.40 13.32 17.69 101.47 54.87 -75.93 -16.09 59.90 1.18 38.92 44.72 5.63 7.97 37.40 3.28 0.00 0.59 0.42 36 R H H 125.23 6.74 12.18 20.12 96.50 74.75 -68.18 -30.58 36.12 1.05 62.83 25.17 5.20 6.52 58.62 3.60 0.00 0.54 0.34 37 M H H 103.19 3.55 15.14 19.48 94.44 58.06 -67.31 -38.51 24.54 0.89 74.57 16.41 3.84 5.08 70.99 2.92 0.01 0.52 0.23 38 L H H 82.45 4.41 16.61 21.72 94.11 52.90 -67.74 -38.31 18.12 0.98 80.90 12.78 2.55 3.99 76.99 2.83 0.01 0.62 0.24 39 V H H 54.69 9.51 14.82 25.39 93.28 51.97 -66.17 -41.06 10.37 0.47 89.16 6.19 1.69 3.24 86.32 2.14 0.01 0.28 0.13 40 S H H 48.24 5.83 16.98 24.04 92.42 51.53 -65.02 -40.38 9.98 0.34 89.67 5.37 1.51 3.62 87.37 1.81 0.01 0.19 0.12 41 K H H 117.62 2.29 20.23 21.66 92.39 49.98 -65.77 -41.10 9.04 0.20 90.76 3.74 1.44 4.14 88.97 1.51 0.02 0.10 0.09 42 C H H 45.49 6.56 17.41 25.41 92.27 49.73 -65.26 -41.48 8.71 0.13 91.16 3.89 1.21 3.64 90.12 1.02 0.01 0.05 0.06 43 C H H 35.77 10.33 15.74 27.49 92.20 51.17 -64.08 -41.31 3.35 0.02 96.62 1.66 0.40 1.16 96.39 0.37 0.00 0.01 0.01 44 E H H 102.64 3.02 19.85 22.70 91.78 50.80 -64.24 -41.04 0.80 0.00 99.20 0.29 0.08 0.34 99.16 0.12 0.00 0.00 0.00 45 E H H 98.85 2.89 19.39 21.93 91.87 50.07 -64.80 -41.09 0.52 0.00 99.48 0.15 0.04 0.26 99.46 0.09 0.00 0.00 0.00 46 F H H 69.28 10.27 16.25 27.46 91.98 50.14 -64.37 -41.79 0.35 0.00 99.65 0.08 0.02 0.18 99.66 0.05 0.00 0.00 0.00 47 R H H 103.02 8.00 17.37 26.17 91.65 51.51 -62.89 -41.84 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 48 D H H 82.69 1.74 19.57 19.76 91.74 49.95 -64.05 -41.30 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 49 Y H H 89.19 5.00 17.04 23.25 91.78 49.85 -64.07 -42.21 0.24 0.00 99.76 0.02 0.01 0.16 99.75 0.05 0.00 0.00 0.00 50 V H H 35.82 12.51 12.52 26.06 92.17 49.72 -64.63 -41.51 0.31 0.00 99.69 0.03 0.01 0.23 99.66 0.08 0.00 0.00 0.00 51 E H H 118.94 3.10 15.92 19.85 91.82 50.04 -65.42 -38.86 1.05 0.00 98.95 0.04 0.04 0.95 98.78 0.20 0.00 0.00 0.00 52 E H H 142.54 0.95 16.83 15.88 92.96 47.78 -71.05 -30.54 8.68 0.00 91.32 0.10 0.21 8.96 90.28 0.44 0.01 0.00 0.00 53 R H H 108.46 6.36 13.04 21.01 101.56 32.26 -111.96 8.17 42.61 0.05 57.33 1.53 2.13 37.71 57.13 1.41 0.02 0.01 0.05 54 S H G 40.52 13.00 9.55 22.92 93.04 113.25 -60.00 -35.16 32.70 0.17 67.13 3.52 2.00 24.31 2.87 67.14 0.00 0.10 0.06 55 G H G 57.62 1.88 15.25 17.71 91.66 55.28 -70.38 -16.52 35.00 0.06 64.94 0.76 1.36 29.82 1.27 66.74 0.00 0.04 0.02 56 E H G 139.28 1.74 15.98 17.56 97.71 48.08 -99.15 -4.88 30.86 0.16 68.99 2.59 3.50 20.55 1.12 72.11 0.00 0.08 0.05 57 D C C 34.84 13.72 8.92 23.29 110.60 96.58 -87.22 117.96 99.17 0.65 0.18 65.47 33.28 0.24 0.09 0.06 0.00 0.12 0.74 58 P C T 80.60 5.20 15.94 22.90 91.57 -151.66 -63.99 -26.09 63.14 0.14 36.72 1.45 3.19 58.73 5.28 31.17 0.00 0.07 0.11 59 L C T 74.68 10.69 14.87 26.26 92.46 64.34 -72.38 -20.41 65.84 0.24 33.92 0.89 3.13 63.02 4.58 28.07 0.01 0.11 0.18 60 V C T 52.69 12.60 13.33 26.32 98.86 48.96 -93.79 -9.75 59.71 2.13 38.17 5.29 8.69 46.05 4.86 32.49 0.17 1.14 1.30 61 K C T 123.69 5.18 15.38 21.82 104.39 72.51 -82.45 19.05 79.82 3.29 16.89 12.96 15.39 51.24 6.32 10.03 0.09 1.61 2.36 62 G C T 46.69 4.97 15.49 21.53 105.66 -81.80 80.84 6.67 97.40 0.84 1.76 22.59 21.27 53.39 0.32 1.56 0.00 0.42 0.45 63 I C C 54.63 11.88 9.44 22.22 116.21 130.19 -92.36 131.83 98.08 1.74 0.18 67.83 29.77 0.40 0.07 0.09 0.00 0.52 1.32 64 P C C 68.99 2.97 15.68 19.24 112.79 -109.39 -65.88 144.49 98.24 1.52 0.25 97.01 1.01 0.29 0.08 0.09 0.00 0.42 1.10 65 E C T 123.73 7.25 9.40 18.19 92.30 -121.71 -60.48 -32.19 59.48 0.43 40.09 3.16 6.01 46.27 1.16 42.96 0.00 0.22 0.21 66 D C T 129.26 0.59 13.51 12.70 92.78 59.13 -75.11 -15.25 59.05 0.22 40.73 1.28 4.05 50.16 0.96 43.34 0.00 0.12 0.09 67 K C G 132.12 2.85 13.02 16.84 100.56 46.14 -100.43 -5.51 53.20 1.01 45.79 5.38 10.08 35.49 1.63 46.37 0.00 0.47 0.57 68 N C C 37.81 12.65 8.50 21.86 111.50 85.66 -99.37 110.60 98.96 0.77 0.27 81.30 17.07 0.42 0.14 0.12 0.00 0.21 0.76 69 P C T 75.71 5.10 14.71 21.71 92.36 -154.64 -66.13 -21.33 68.50 0.22 31.28 4.21 4.82 59.46 10.36 20.83 0.01 0.10 0.21 70 F C T 87.03 10.01 12.28 23.30 94.31 61.05 -81.19 -10.84 63.15 0.45 36.39 3.81 4.72 53.41 14.26 23.11 0.05 0.23 0.41 71 K H G 106.77 7.77 12.23 21.23 94.55 76.31 -67.52 -25.06 40.75 1.55 57.71 16.70 8.35 15.91 21.25 36.24 0.03 0.78 0.74 72 E H G 135.22 2.42 13.79 17.00 97.09 63.91 -75.52 -19.48 47.30 2.52 50.18 22.30 8.51 16.61 22.07 28.02 0.04 1.34 1.11 73 L C C 95.55 6.13 11.22 18.79 104.97 61.78 -89.05 33.97 56.46 4.13 39.42 24.22 14.05 19.28 17.28 20.88 0.16 2.00 2.13 74 K C T 145.71 3.43 12.68 17.68 107.31 -111.21 -85.64 107.99 75.82 2.77 21.42 20.42 17.16 38.88 10.63 9.94 0.06 1.38 1.52 75 G C T 48.87 4.18 13.80 19.29 108.41 -29.92 90.56 -0.56 91.04 2.37 6.60 24.59 24.47 42.41 1.45 4.88 0.00 1.40 0.82 76 G C C 35.78 7.30 14.12 22.61 124.25 -105.62 102.89 -174.39 86.72 10.06 3.23 48.81 25.35 12.88 0.60 2.89 0.00 7.08 2.39 77 C C C 56.86 12.92 11.69 24.64 118.12 -77.47 -102.96 137.96 66.57 31.39 2.04 48.74 12.84 4.67 0.58 1.63 0.00 27.07 4.46 78 V E E 89.07 5.55 15.28 22.35 120.52 -159.40 -110.10 134.30 44.06 54.92 1.02 36.03 5.36 1.58 0.49 0.66 0.00 48.93 6.95 79 I E C 97.15 8.96 11.08 21.17 115.99 -156.57 -99.03 126.19 48.42 51.11 0.47 45.92 1.04 0.71 0.27 0.21 0.00 45.90 5.95 80 S C C 67.76 5.40 15.09 21.73 123.21 -169.92 -114.49 148.68 97.79 2.20 0.01 97.76 0.11 0.02 0.00 0.00 0.00 2.06 0.04