# 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 88.42 7.69 13.63 22.43 110.54 -153.38 -90.78 115.82 99.43 0.26 0.31 99.27 0.17 0.12 0.25 0.02 0.00 0.12 0.06 1 F H H 116.01 5.18 11.98 18.44 98.18 72.03 -71.94 -34.19 48.36 1.69 49.95 41.19 1.29 5.67 48.85 1.54 0.00 0.82 0.64 2 W H H 144.68 5.03 11.40 17.62 94.86 58.12 -68.13 -35.78 21.52 0.72 77.76 12.69 3.29 6.51 75.10 1.77 0.01 0.39 0.24 3 R H H 134.57 3.53 13.39 17.89 94.26 54.85 -67.29 -37.95 6.98 0.30 92.72 3.75 1.20 2.69 90.33 1.74 0.01 0.21 0.07 4 N H H 84.79 4.50 14.57 19.88 94.43 51.43 -68.87 -37.51 4.19 0.30 95.50 2.29 0.73 1.71 93.40 1.57 0.01 0.24 0.06 5 V H H 66.52 6.33 14.88 22.22 93.50 51.63 -66.61 -40.93 3.26 0.27 96.47 1.61 0.54 1.45 94.95 1.19 0.01 0.22 0.04 6 V H H 65.75 5.62 16.13 22.71 92.77 50.39 -65.45 -41.31 3.24 0.24 96.52 1.46 0.51 1.54 95.34 0.91 0.01 0.18 0.04 7 R H H 117.89 4.52 17.49 22.62 93.13 51.15 -66.29 -40.47 4.74 0.16 95.10 1.47 0.60 2.78 94.00 0.98 0.01 0.11 0.04 8 G H H 26.64 7.46 16.40 24.95 93.43 50.65 -65.18 -41.02 8.78 0.14 91.08 2.13 0.99 5.67 90.00 1.06 0.02 0.08 0.04 9 L H H 75.93 5.77 17.54 24.07 93.17 50.61 -65.88 -40.64 6.48 0.11 93.40 2.41 1.02 3.24 92.37 0.86 0.01 0.05 0.04 10 N H H 84.66 4.46 18.52 23.27 93.55 50.93 -66.72 -39.33 5.29 0.12 94.58 2.17 0.80 2.56 93.55 0.82 0.01 0.06 0.03 11 C H H 53.49 6.99 16.21 24.22 93.47 51.37 -66.26 -40.51 3.74 0.10 96.16 1.54 0.54 1.80 95.10 0.93 0.01 0.06 0.02 12 Q H H 88.55 6.13 16.88 23.60 93.69 51.27 -66.51 -39.92 3.00 0.09 96.91 1.22 0.42 1.48 95.74 1.05 0.01 0.06 0.02 13 Q H H 93.69 3.84 17.14 21.40 93.77 51.19 -67.49 -39.49 4.12 0.12 95.75 1.39 0.55 2.29 94.25 1.40 0.01 0.08 0.03 14 A H H 50.10 5.42 14.96 21.69 93.59 52.32 -67.22 -37.94 7.53 0.14 92.33 2.02 0.92 4.63 90.45 1.84 0.02 0.08 0.05 15 L H H 77.62 7.52 13.48 22.08 95.38 53.00 -71.25 -32.92 16.95 0.32 82.72 5.62 2.31 9.60 79.46 2.66 0.04 0.16 0.14 16 R H H 140.35 4.37 14.17 19.68 97.64 59.10 -74.08 -25.27 27.58 0.58 71.84 10.94 3.93 13.73 67.88 2.95 0.03 0.28 0.25 17 R H H 145.08 3.91 13.13 18.23 99.93 62.71 -78.75 -7.05 34.59 0.78 64.64 15.08 5.82 15.15 59.05 4.12 0.04 0.38 0.35 18 Q H H 108.60 5.21 12.48 18.97 102.88 63.05 -81.63 4.03 43.65 0.88 55.47 15.94 8.63 20.23 48.29 5.99 0.06 0.44 0.42 19 N C H 100.71 4.79 14.31 20.23 102.04 -72.01 -80.84 55.98 50.57 0.90 48.53 23.99 7.11 20.27 41.75 5.98 0.03 0.44 0.44 20 F H H 84.43 10.96 11.21 22.90 106.68 145.88 -85.68 70.09 42.82 1.68 55.50 25.50 8.25 10.80 44.69 9.14 0.04 0.89 0.69 21 A H H 56.39 8.05 13.42 22.53 106.16 54.71 -75.72 88.84 41.61 2.31 56.08 26.66 5.69 10.00 43.31 12.09 0.03 1.51 0.72 22 K H H 134.45 4.37 13.92 19.51 105.50 67.14 -83.06 28.95 43.22 2.79 53.99 15.72 7.98 19.89 39.31 14.19 0.15 1.90 0.85 23 N C H 101.87 5.10 14.09 20.21 103.10 51.62 -90.57 39.57 50.62 4.42 44.96 20.90 8.69 21.75 32.78 11.45 0.14 3.10 1.20 24 I C C 77.72 10.91 10.22 21.90 113.82 146.37 -95.02 123.53 57.28 13.41 29.31 40.32 9.74 7.39 24.98 4.75 0.09 9.30 3.42 25 T C C 80.43 5.56 13.55 20.52 116.87 -165.75 -107.88 135.88 65.01 12.85 22.14 47.74 7.66 8.02 19.69 4.02 0.03 10.28 2.55 26 T C C 91.58 5.81 12.38 19.54 108.00 -150.03 -97.30 76.94 68.80 12.50 18.70 45.36 11.93 10.67 14.81 4.95 0.07 9.59 2.62 27 T C C 80.97 6.02 12.29 19.74 115.26 107.81 -100.74 130.70 76.65 10.84 12.51 48.38 16.81 11.50 8.58 4.28 0.04 8.02 2.39 28 D C C 107.48 3.42 14.59 19.23 109.74 -139.28 -92.16 107.46 84.57 9.09 6.34 58.98 17.17 8.29 3.69 2.75 0.00 6.80 2.31 29 I C C 67.80 12.76 10.04 23.29 116.77 -154.14 -92.59 132.42 91.35 7.01 1.63 73.47 16.96 1.11 1.28 0.52 0.00 4.87 1.80 30 P C C 64.77 7.70 13.52 22.74 113.59 -109.55 -66.52 146.30 89.26 6.06 4.68 83.50 3.55 2.36 3.21 1.34 0.00 4.24 1.79 31 K C C 134.44 5.40 12.38 19.36 105.76 -135.12 -82.51 22.28 79.28 6.66 14.05 56.31 15.23 7.22 10.41 4.13 0.01 3.44 3.26 32 D C C 82.94 5.02 12.94 19.35 112.04 -9.75 -95.10 125.32 75.31 3.35 21.34 53.11 13.13 8.64 16.22 5.67 0.01 1.92 1.31 33 S C H 63.60 7.91 10.91 20.09 96.72 -153.69 -70.44 -17.77 50.18 1.75 48.06 27.50 9.95 13.67 35.09 12.11 0.03 0.99 0.67 34 H H H 130.05 3.12 13.35 17.65 95.09 66.25 -75.57 -23.17 42.09 1.73 56.17 21.31 8.12 13.58 42.26 13.02 0.05 1.04 0.62 35 H H H 102.30 5.57 13.24 20.06 99.25 61.86 -76.10 -25.70 39.17 2.46 58.37 23.63 7.54 9.13 45.11 12.25 0.05 1.54 0.76 36 F H H 82.93 10.08 11.57 22.53 99.40 60.91 -78.17 -28.15 39.99 3.34 56.66 27.00 6.88 7.93 46.32 8.72 0.04 2.08 1.03 37 A H H 60.69 6.56 13.05 20.96 100.60 59.36 -72.93 -27.61 43.15 2.90 53.95 28.28 7.33 9.26 44.41 7.99 0.04 1.75 0.94 38 A C H 69.34 4.58 13.40 19.23 102.10 59.39 -79.90 -11.11 52.20 2.77 45.03 28.60 11.79 13.11 36.04 7.84 0.06 1.57 0.98 39 K C C 126.87 5.31 12.89 19.78 109.24 62.07 -84.98 109.34 64.64 3.21 32.14 40.27 14.48 9.98 26.18 6.09 0.03 1.75 1.20 40 R C C 125.33 8.72 10.86 20.57 109.81 -121.42 -80.82 121.89 77.79 4.00 18.21 62.51 6.14 8.48 13.99 4.64 0.00 2.25 1.99 41 S C C 74.57 5.12 12.29 18.89 109.37 -146.83 -89.92 106.75 85.63 3.05 11.32 48.20 12.39 25.58 6.55 4.17 0.01 1.61 1.49 42 G C C 59.04 2.04 15.31 17.62 98.99 1.63 80.18 3.89 92.14 2.77 5.09 38.00 24.93 29.97 1.55 3.04 0.00 1.50 1.02 43 F C C 67.97 13.82 7.87 21.44 116.47 134.73 -86.78 138.65 92.73 5.01 2.25 65.99 23.95 2.36 1.11 1.05 0.00 1.93 3.60 44 T C C 80.79 3.09 15.92 19.57 119.38 -148.53 -98.81 149.27 96.43 1.87 1.70 88.40 6.58 1.42 0.93 0.63 0.00 0.81 1.25 45 Q C T 109.06 8.12 11.99 21.20 95.64 -109.16 -62.78 -28.53 60.84 0.92 38.24 8.80 7.37 43.79 10.24 28.70 0.02 0.53 0.55 46 T C T 89.78 4.73 13.21 19.13 96.25 58.29 -77.27 -9.25 61.59 0.81 37.60 8.46 7.30 45.01 10.32 27.94 0.02 0.47 0.47 47 E C C 106.25 6.65 13.86 21.69 100.32 69.81 -83.35 -2.67 59.67 2.58 37.76 31.89 14.41 14.18 8.58 28.49 0.01 1.34 1.10 48 Q C C 87.05 9.68 14.24 24.63 112.62 73.75 -95.10 106.11 75.30 5.44 19.26 43.44 21.71 10.31 10.18 8.42 0.04 2.05 3.85 49 A C C 38.86 12.70 13.85 27.08 115.40 -118.86 -74.34 146.47 88.56 2.12 9.33 66.76 18.52 3.50 6.39 2.72 0.00 0.94 1.17 50 P C C 64.28 9.68 16.33 26.76 105.63 -105.75 -68.05 135.80 79.10 3.00 17.90 56.88 10.35 11.75 10.22 7.69 0.00 1.70 1.40 51 F C C 100.02 9.97 15.79 26.19 110.26 -123.64 -89.15 125.08 63.24 13.41 23.35 38.58 11.89 12.93 12.70 10.55 0.17 7.67 5.51 52 A C C 44.42 11.30 14.61 26.48 107.98 -144.90 -83.56 123.08 60.73 13.87 25.41 37.31 11.62 12.12 14.17 11.29 0.12 9.56 3.80 53 Y C C 100.55 11.20 13.15 24.74 105.71 60.98 -88.24 51.04 60.58 12.60 26.82 35.06 12.70 13.60 15.74 10.67 0.19 8.15 3.89 54 N C C 94.84 6.02 14.73 21.83 103.41 64.01 -89.00 26.35 66.73 7.38 25.89 34.22 16.96 16.57 15.80 9.50 0.11 4.57 2.27 55 D C C 85.96 7.21 13.23 21.53 103.67 108.80 -85.13 39.36 67.46 6.04 26.49 34.58 16.77 16.93 14.63 11.38 0.07 3.77 1.87 56 V C C 85.31 7.02 13.54 21.64 103.74 106.73 -92.31 3.92 60.37 12.24 27.39 32.78 14.04 14.52 13.36 13.63 0.15 8.36 3.17 57 Y C C 95.03 11.65 11.79 23.97 114.63 90.68 -99.40 125.12 63.40 16.30 20.31 39.52 11.96 12.33 8.74 11.46 0.07 12.11 3.80 58 Q C C 117.48 4.17 17.53 23.02 117.76 -161.13 -107.13 133.42 71.86 16.73 11.41 49.24 13.46 8.81 4.50 7.10 0.03 12.06 4.82 59 Y C C 76.41 15.76 9.87 25.15 118.55 -132.93 -89.08 138.09 92.15 7.43 0.42 66.97 25.14 0.65 0.21 0.20 0.00 4.92 1.92 60 P C C 49.97 8.42 12.31 22.66 113.25 -105.66 -66.09 150.57 94.74 3.00 2.26 89.03 3.61 2.34 0.66 1.42 0.00 1.95 0.98 61 K C T 166.47 1.46 12.72 15.07 93.80 -117.04 -64.06 -26.85 60.21 0.81 38.98 7.07 9.51 41.51 2.62 38.45 0.00 0.45 0.38 62 D C T 106.87 2.66 13.49 16.97 96.95 57.29 -84.80 -3.64 59.56 0.86 39.57 6.92 8.56 41.99 2.73 38.93 0.00 0.51 0.35 63 Y C G 76.27 13.46 10.36 23.84 111.61 74.63 -95.74 90.34 57.39 3.11 39.50 30.97 14.45 12.22 4.21 35.33 0.01 1.60 1.21 64 K C C 101.00 7.59 16.69 25.30 118.45 -150.55 -96.39 135.55 89.59 3.04 7.37 59.14 26.73 3.95 4.60 2.53 0.00 1.34 1.72 65 P C C 54.63 11.95 15.79 28.23 105.79 -106.14 -69.01 132.34 79.68 3.55 16.77 56.15 10.75 12.62 9.35 7.44 0.00 1.89 1.81 66 W C C 94.37 13.43 15.64 28.96 106.23 -119.96 -81.78 82.63 67.16 7.23 25.61 40.08 12.03 15.20 14.23 11.23 0.05 3.81 3.38 67 N C C 67.80 10.61 17.16 28.09 104.07 105.92 -87.24 7.14 59.18 7.53 33.29 31.78 13.63 14.53 20.12 12.60 0.12 4.51 2.71 68 Y C H 107.62 10.49 16.47 27.20 98.09 63.80 -73.22 -21.05 50.12 8.31 41.57 21.05 12.82 18.08 24.46 15.21 0.52 5.06 2.80 69 N C C 74.51 9.54 16.92 26.88 99.80 59.15 -86.65 -1.81 55.32 7.89 36.79 27.62 11.34 17.63 23.00 12.62 0.20 4.99 2.59 70 Y C C 76.66 14.52 13.71 27.92 103.53 88.76 -84.55 18.98 56.86 8.20 34.94 29.63 13.01 15.57 23.15 10.59 0.22 4.76 3.08 71 K C T 123.76 6.16 17.22 24.20 101.98 94.53 -86.15 0.51 62.45 5.49 32.06 23.25 16.24 24.63 23.34 7.16 0.24 3.02 2.12 72 G C T 33.21 9.68 17.00 26.95 112.81 39.71 -88.21 -90.08 68.11 3.50 28.39 22.02 21.00 26.72 20.52 6.29 0.15 1.72 1.58 73 N C H 76.73 10.95 16.85 27.77 102.74 -60.51 -85.41 14.05 60.64 3.16 36.20 31.05 14.95 15.77 31.26 4.11 0.06 1.49 1.30 74 G H H 24.27 12.26 17.95 30.18 98.23 74.67 -58.57 -39.05 34.06 1.76 64.18 17.60 8.73 10.01 59.47 2.58 0.08 0.91 0.63 75 V H H 56.22 11.23 20.51 31.65 93.62 54.36 -65.75 -40.39 6.18 0.77 93.06 2.81 1.08 2.78 91.08 1.44 0.06 0.61 0.13 76 L H H 42.23 15.33 20.65 35.54 92.84 51.90 -65.39 -41.44 2.37 0.91 96.72 1.03 0.34 1.17 95.25 1.21 0.03 0.90 0.07 77 L H H 43.78 14.75 21.01 35.38 92.36 51.18 -64.58 -41.83 1.22 0.50 98.28 0.48 0.15 0.64 97.24 0.93 0.01 0.51 0.03 78 A H H 37.67 11.19 22.33 33.55 92.12 51.08 -64.76 -41.55 1.39 0.26 98.35 0.38 0.14 0.85 97.43 0.90 0.01 0.25 0.02 79 L H H 50.32 12.81 22.77 35.41 92.27 49.94 -65.21 -41.73 2.70 0.22 97.08 0.44 0.24 1.97 96.11 1.01 0.03 0.16 0.04 80 F H H 43.96 16.85 22.24 38.50 92.44 49.30 -66.95 -40.27 5.93 0.28 93.80 0.86 0.57 4.54 92.57 1.14 0.07 0.17 0.08 81 L H H 47.87 14.31 22.93 36.64 92.76 51.43 -65.30 -40.62 11.12 0.32 88.56 1.76 1.19 8.19 87.01 1.41 0.11 0.21 0.11 82 G H H 23.25 11.08 23.65 34.80 92.56 51.65 -65.38 -41.06 13.79 0.26 85.95 1.89 1.46 10.29 84.47 1.54 0.08 0.18 0.10 83 S H H 28.31 14.65 23.30 37.49 92.72 49.85 -66.39 -39.64 11.14 0.41 88.44 2.70 1.42 6.99 86.73 1.66 0.04 0.35 0.11 84 A H H 21.60 17.08 22.64 39.13 92.13 53.07 -64.31 -42.20 4.56 0.35 95.09 1.38 0.62 2.66 94.01 0.96 0.02 0.30 0.06 85 F H H 71.84 11.99 24.91 36.65 92.08 50.18 -64.66 -41.91 1.59 0.16 98.25 0.50 0.18 0.89 97.79 0.47 0.00 0.14 0.02 86 S H H 30.12 11.76 23.81 35.85 91.74 50.90 -64.37 -42.30 0.91 0.06 99.04 0.22 0.08 0.54 98.82 0.28 0.00 0.05 0.00 87 L H H 33.98 15.77 23.24 38.63 91.83 50.24 -63.81 -42.71 0.79 0.02 99.19 0.14 0.06 0.52 99.06 0.20 0.00 0.01 0.00 88 V H H 32.61 14.83 23.25 37.88 91.81 49.05 -64.16 -42.65 0.46 0.01 99.54 0.08 0.04 0.29 99.49 0.10 0.00 0.00 0.00 89 A H H 32.95 9.51 23.55 33.65 91.64 50.72 -64.24 -42.36 0.29 0.00 99.71 0.04 0.02 0.18 99.71 0.04 0.00 0.00 0.00 90 Y H H 66.81 11.84 23.31 35.17 91.81 49.25 -65.13 -42.28 0.28 0.00 99.72 0.03 0.02 0.19 99.72 0.04 0.00 0.00 0.00 91 E H H 39.22 16.46 21.40 37.28 92.11 49.73 -64.37 -42.32 0.22 0.00 99.78 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 92 R H H 88.71 10.68 21.87 32.48 91.88 50.20 -64.23 -41.25 0.24 0.00 99.76 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 93 S H H 40.22 5.92 22.10 28.53 91.70 50.38 -64.34 -41.77 0.52 0.00 99.48 0.05 0.03 0.37 99.47 0.07 0.00 0.00 0.00 94 Y H H 56.06 10.02 19.34 30.56 91.99 49.06 -65.01 -42.34 0.98 0.01 99.00 0.11 0.07 0.75 98.91 0.14 0.00 0.01 0.00 95 A H H 16.98 12.19 14.87 28.89 91.78 50.56 -63.89 -41.93 1.77 0.03 98.20 0.34 0.20 1.15 98.05 0.24 0.01 0.02 0.01 96 S H H 63.81 3.97 16.80 21.56 92.32 50.47 -65.51 -39.57 4.59 0.04 95.37 0.69 0.40 3.32 95.05 0.49 0.01 0.02 0.01 97 K H H 131.92 2.96 15.84 19.50 93.03 49.26 -68.51 -34.99 9.59 0.05 90.36 0.73 0.74 7.87 90.03 0.56 0.02 0.02 0.02 98 T H H 67.65 6.12 12.89 20.52 97.46 41.05 -90.72 -10.35 32.90 0.24 66.86 2.89 4.53 24.80 66.64 0.83 0.08 0.07 0.15 99 G C T 53.97 2.52 14.42 17.79 96.30 -117.23 75.38 8.41 89.52 0.65 9.83 24.25 16.11 48.59 8.65 1.79 0.00 0.33 0.27 100 R C C 119.81 6.15 12.67 20.28 104.63 112.61 -93.08 21.34 78.50 2.45 19.05 58.62 11.57 7.39 16.13 3.99 0.00 1.32 0.98 101 Y C C 103.75 10.52 12.24 23.24 103.10 107.19 -82.96 -13.75 62.23 3.46 34.31 47.57 8.47 6.11 29.42 5.30 0.01 2.10 1.01 102 Q C C 103.94 5.81 16.09 22.84 104.60 64.18 -83.80 11.31 51.72 4.55 43.73 37.93 8.02 6.40 37.75 5.73 0.02 3.17 0.99 103 R H H 116.27 7.96 13.96 22.82 104.75 55.99 -79.53 48.83 43.74 5.29 50.97 31.41 7.10 6.32 43.90 6.23 0.03 4.04 0.96 104 K H H 101.66 7.75 14.20 22.92 102.00 57.89 -77.60 -9.61 44.39 4.60 51.01 32.74 5.94 6.40 45.00 5.53 0.02 3.51 0.86 105 V H H 64.42 8.90 13.35 23.31 103.33 67.90 -81.77 -14.92 45.51 3.34 51.15 32.72 6.52 7.14 45.86 4.70 0.02 2.27 0.76 106 Q H H 89.77 8.01 13.55 22.58 98.30 65.27 -71.31 -31.51 36.64 1.96 61.41 24.18 6.27 7.76 52.85 7.13 0.02 1.27 0.53 107 Q H H 104.49 4.74 14.74 20.58 96.90 60.75 -71.06 -30.97 31.61 1.39 67.00 14.84 5.75 11.83 54.23 11.96 0.06 0.89 0.44 108 N H H 76.26 7.23 14.29 22.64 97.39 56.68 -75.22 -24.01 31.60 1.43 66.97 12.66 5.46 13.70 51.96 14.73 0.09 0.91 0.48 109 Y H H 86.31 11.31 12.58 24.45 98.43 65.01 -77.19 -25.82 34.64 3.10 62.25 14.75 6.61 13.99 46.55 14.93 0.17 2.11 0.89 110 Y H H 105.10 9.36 12.64 22.93 102.39 60.84 -86.29 0.81 46.31 6.20 47.49 21.54 7.90 18.07 35.03 11.24 0.22 4.16 1.83 111 Q C C 111.77 4.87 13.37 19.69 107.65 95.15 -85.28 102.66 68.55 3.57 27.89 48.48 2.23 17.34 23.85 4.38 0.00 2.29 1.42 112 I C C 82.17 11.06 12.73 24.15 108.21 -159.15 -85.15 100.57 99.81 0.12 0.07 99.62 0.14 0.11 0.04 0.01 0.00 0.07 0.01