# 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 A C C 60.83 8.81 13.98 23.58 113.40 -144.62 -84.97 135.93 99.83 0.11 0.06 99.71 0.11 0.07 0.03 0.00 0.00 0.05 0.02 1 K C C 126.80 5.79 13.54 20.96 115.07 -137.81 -92.44 132.81 85.17 4.63 10.19 80.83 1.72 2.98 8.42 1.51 0.00 2.59 1.95 2 T C C 68.97 7.72 12.90 21.94 118.43 -143.26 -93.79 148.27 71.70 7.85 20.45 56.84 8.43 5.68 16.64 4.66 0.01 4.79 2.95 3 R C C 118.49 9.06 14.54 24.42 96.54 -126.93 -70.01 -22.76 51.50 7.41 41.09 31.40 10.91 10.59 29.69 10.22 0.13 4.90 2.15 4 S C H 40.40 12.64 13.02 25.87 97.19 66.15 -73.14 -30.67 48.47 7.49 44.04 28.80 9.65 11.39 31.15 11.72 0.13 5.14 2.04 5 S C H 64.30 6.73 15.25 22.94 95.57 64.84 -72.61 -25.88 48.26 6.84 44.89 28.04 9.57 11.89 31.21 12.62 0.12 4.55 2.00 6 R C H 137.62 6.05 15.80 22.94 95.18 61.83 -74.52 -19.24 50.49 6.55 42.96 19.80 13.05 19.68 29.16 11.49 0.47 3.95 2.40 7 A C T 39.30 13.55 14.17 27.71 97.44 56.56 -83.88 -0.99 70.39 2.35 27.26 12.13 13.82 43.69 17.52 10.12 0.13 1.33 1.27 8 G C T 46.12 5.02 20.19 25.71 98.15 -100.94 83.26 7.46 89.25 2.36 8.39 21.71 17.52 50.70 3.38 4.43 0.01 1.48 0.79 9 L C C 27.10 20.13 11.86 31.39 116.21 130.69 -92.34 132.02 81.83 13.47 4.71 64.76 10.61 5.76 2.22 2.59 0.01 8.67 5.37 10 Q C C 113.23 5.51 22.04 28.20 111.14 -159.12 -99.70 106.99 80.41 16.40 3.19 55.36 20.85 4.10 2.02 1.45 0.01 10.93 5.27 11 F C C 33.40 20.12 14.65 34.13 120.06 135.43 -106.57 131.45 88.37 10.28 1.35 56.47 31.64 1.19 1.20 0.37 0.00 7.04 2.10 12 P C C 51.58 8.42 23.07 32.00 110.24 -111.59 -67.64 138.21 90.40 7.06 2.53 87.52 2.16 1.04 2.20 0.43 0.00 4.49 2.16 13 V H H 39.70 19.59 15.77 34.29 93.80 -128.67 -61.07 -37.22 14.88 0.26 84.86 6.00 2.61 6.91 82.50 1.71 0.03 0.12 0.12 14 G H H 33.38 5.70 21.63 27.87 92.44 55.93 -61.68 -41.49 7.16 0.10 92.74 1.75 1.05 4.50 91.14 1.45 0.02 0.05 0.04 15 R H H 97.40 8.28 22.45 30.82 92.29 50.38 -66.98 -39.24 2.62 0.08 97.30 1.04 0.40 1.29 96.04 1.15 0.01 0.05 0.02 16 V H H 3.57 24.92 16.60 41.77 91.65 51.14 -63.70 -43.72 1.13 0.04 98.83 0.43 0.15 0.55 98.38 0.44 0.00 0.03 0.00 17 H H H 58.72 13.79 21.08 34.59 91.46 51.07 -62.55 -42.09 0.94 0.03 99.03 0.28 0.11 0.50 98.77 0.32 0.00 0.02 0.00 18 R H H 121.18 2.64 24.24 25.76 91.61 50.47 -64.02 -42.45 1.13 0.03 98.84 0.24 0.13 0.70 98.56 0.33 0.01 0.02 0.00 19 L H H 20.39 13.86 17.95 33.11 91.73 49.67 -64.27 -42.04 1.52 0.05 98.43 0.37 0.19 0.94 97.98 0.47 0.01 0.03 0.01 20 L H H 17.73 21.03 14.06 34.67 92.04 50.57 -64.90 -39.62 2.99 0.07 96.95 0.59 0.30 2.08 95.93 1.03 0.02 0.04 0.01 21 R H H 151.07 4.18 18.24 23.52 91.85 51.71 -66.55 -33.26 10.13 0.07 89.80 0.67 0.70 8.76 88.77 1.00 0.04 0.03 0.03 22 K C T 139.01 1.96 17.90 19.27 94.73 47.50 -87.87 -7.31 54.81 0.15 45.04 1.30 3.21 48.75 45.10 1.43 0.04 0.05 0.11 23 G C T 37.38 9.56 14.04 24.31 101.90 -109.90 83.20 13.56 97.06 0.26 2.68 9.13 12.46 75.66 1.80 0.69 0.00 0.13 0.13 24 N C C 73.83 5.83 17.92 24.78 103.90 131.81 -100.32 75.29 92.19 0.95 6.86 79.23 7.61 5.45 4.79 1.81 0.00 0.40 0.70 25 Y H H 34.58 20.69 11.44 31.46 94.72 154.01 -70.17 -28.37 31.29 1.00 67.71 15.56 5.84 11.06 49.61 16.84 0.07 0.51 0.50 26 S H H 60.13 9.30 15.52 25.77 91.72 67.77 -63.73 -29.98 18.52 0.40 81.08 3.79 2.71 10.96 60.05 21.99 0.11 0.23 0.16 27 E H H 145.42 1.39 19.25 19.52 93.60 52.45 -74.86 -28.06 16.43 0.42 83.15 2.64 2.35 10.39 62.75 21.30 0.15 0.24 0.16 28 R H H 104.66 10.29 16.37 26.88 100.28 43.03 -89.43 -29.70 23.98 0.78 75.24 3.96 4.85 15.79 62.81 11.30 0.49 0.39 0.41 29 V H H 32.48 18.47 12.37 29.79 106.47 34.80 -107.08 -5.99 46.05 5.99 47.95 14.05 19.88 15.74 39.95 3.37 0.72 1.39 4.90 30 G C C 33.79 4.92 18.83 24.61 124.47 -136.20 83.12 -169.12 68.97 1.85 29.18 43.11 9.44 15.00 6.27 24.15 0.00 0.88 1.15 31 A C T 87.26 3.46 16.93 21.59 94.69 -42.43 -67.01 -11.43 66.29 0.32 33.39 1.52 5.90 58.96 4.01 29.12 0.02 0.16 0.31 32 G C T 31.93 9.64 18.67 28.86 94.11 53.63 -75.58 -6.93 62.43 0.17 37.41 3.92 4.37 53.73 8.50 29.23 0.01 0.08 0.16 33 A H H 9.86 19.80 16.72 37.06 92.78 103.87 -61.07 -41.84 5.07 0.02 94.92 3.27 0.86 1.17 93.90 0.79 0.00 0.00 0.01 34 P H H 27.82 18.75 20.89 38.67 91.65 53.06 -63.53 -39.84 1.10 0.01 98.89 0.30 0.09 0.58 98.53 0.50 0.00 0.00 0.00 35 V H H 66.06 8.34 26.05 34.64 91.75 50.28 -65.06 -41.76 0.21 0.00 99.78 0.04 0.02 0.11 99.58 0.25 0.00 0.00 0.00 36 Y H H 60.28 14.42 25.36 39.27 91.74 49.23 -64.83 -42.48 0.11 0.00 99.89 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 37 L H H 6.32 24.67 23.23 47.32 91.63 49.90 -64.29 -42.62 0.13 0.00 99.87 0.02 0.01 0.07 99.88 0.02 0.00 0.00 0.00 38 A H H 17.47 16.98 24.30 40.95 91.25 51.53 -62.77 -41.93 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 39 A H H 35.61 7.99 26.82 35.76 91.44 50.71 -63.74 -42.10 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 40 V H H 13.82 19.71 24.06 43.36 91.31 50.06 -64.44 -42.84 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 41 L H H 6.99 24.33 22.31 46.07 91.34 50.82 -63.53 -41.93 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 42 E H H 82.44 10.91 25.43 36.22 91.40 51.65 -63.03 -41.45 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 43 Y H H 85.89 9.40 25.87 35.42 91.83 49.06 -64.93 -41.72 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 44 L H H 11.30 21.47 22.38 43.34 91.29 49.28 -65.15 -42.47 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 45 T H H 17.57 20.04 22.20 41.29 91.50 51.21 -63.44 -41.77 0.27 0.00 99.73 0.02 0.01 0.18 99.75 0.04 0.00 0.00 0.00 46 A H H 41.23 7.15 24.83 32.59 91.49 51.60 -63.82 -41.66 0.24 0.00 99.76 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 47 E H H 65.40 10.10 24.91 35.18 91.70 49.58 -65.38 -41.17 0.34 0.00 99.66 0.03 0.02 0.23 99.62 0.09 0.00 0.00 0.00 48 I H H 5.62 24.14 20.31 44.29 91.30 50.13 -64.09 -43.28 0.43 0.00 99.57 0.06 0.02 0.27 99.52 0.12 0.00 0.00 0.00 49 L H H 41.38 16.29 22.15 37.65 91.54 50.58 -63.31 -41.70 0.80 0.01 99.19 0.13 0.05 0.52 98.99 0.31 0.00 0.00 0.00 50 E H H 111.60 3.49 26.08 29.52 91.66 50.25 -64.39 -40.80 3.06 0.02 96.92 0.36 0.20 2.30 96.40 0.72 0.01 0.01 0.00 51 L H H 36.41 14.05 21.92 36.02 92.11 48.64 -66.59 -39.18 7.50 0.06 92.44 0.88 0.63 5.73 91.66 1.03 0.02 0.03 0.02 52 A H H 10.28 20.71 17.85 38.14 92.70 51.67 -67.74 -35.10 19.59 0.34 80.06 4.09 2.77 12.99 77.74 2.03 0.07 0.15 0.17 53 G H H 27.37 10.76 20.68 31.40 96.99 58.79 -59.94 -39.93 38.28 1.14 60.58 10.79 5.82 22.82 53.79 5.55 0.11 0.64 0.48 54 N H H 93.48 4.76 22.14 26.88 96.62 42.96 -76.87 -23.70 40.87 2.84 56.29 13.70 7.99 20.64 45.41 9.20 0.19 2.03 0.83 55 A H H 32.96 11.44 16.57 28.89 96.97 63.91 -73.88 -26.11 39.84 6.99 53.17 17.82 7.92 15.97 41.24 10.17 0.23 5.21 1.43 56 A C H 30.84 13.71 12.84 26.94 100.89 68.65 -80.10 -8.50 45.03 11.41 43.56 25.24 8.03 13.73 33.96 8.11 0.21 8.36 2.36 57 R C H 143.28 4.54 14.50 20.30 103.31 82.30 -82.30 0.08 53.24 12.09 34.67 25.36 11.07 18.02 27.76 6.13 0.58 8.01 3.06 58 D C T 105.26 3.00 13.21 17.18 103.48 44.00 -84.88 34.13 73.80 3.86 22.34 25.18 17.61 31.36 17.07 5.10 0.07 2.37 1.26 59 N C T 102.59 4.88 11.50 17.83 102.40 12.11 -79.95 40.99 84.18 0.98 14.84 24.40 21.08 38.97 9.33 5.20 0.00 0.46 0.54 60 K C C 143.73 3.70 12.73 17.71 99.19 109.67 -76.78 8.60 79.33 2.39 18.27 29.67 23.63 26.55 10.70 7.13 0.02 1.22 1.07 61 K C C 116.36 6.24 14.01 21.51 111.06 99.67 -90.78 109.83 70.67 8.36 20.96 39.81 17.71 13.43 13.16 7.89 0.05 5.36 2.58 62 T C C 62.43 11.42 14.49 26.32 110.39 68.71 -96.12 105.13 68.14 12.14 19.72 47.50 11.91 8.35 13.23 7.08 0.03 9.41 2.48 63 R C C 110.05 9.56 20.60 30.13 117.99 72.16 -101.58 137.39 63.91 18.17 17.92 40.87 16.00 6.98 12.86 5.75 0.06 14.11 3.37 64 I C C 20.82 22.03 14.85 36.37 112.68 -128.21 -91.03 121.66 63.25 24.00 12.75 47.45 11.49 3.16 10.35 3.26 0.03 13.62 10.63 65 I C C 54.17 10.06 22.41 32.87 118.92 -158.96 -92.47 145.80 86.24 2.29 11.47 79.24 5.21 0.99 12.23 0.51 0.00 1.32 0.50 66 P H H 51.51 14.43 16.61 31.03 92.92 -115.40 -57.68 -38.35 8.89 0.22 90.89 3.55 1.23 4.37 88.63 2.02 0.01 0.14 0.05 67 R H H 136.91 3.86 22.54 26.60 91.75 53.75 -63.70 -38.05 4.47 0.08 95.44 1.16 0.50 2.78 93.26 2.22 0.01 0.06 0.02 68 H H H 42.54 15.47 20.10 35.28 92.19 49.48 -66.40 -40.44 2.00 0.06 97.94 0.71 0.24 1.05 95.61 2.33 0.00 0.04 0.01 69 L H H 6.39 24.11 17.81 41.91 91.68 50.92 -63.92 -42.52 1.24 0.05 98.71 0.48 0.14 0.61 97.78 0.95 0.00 0.04 0.01 70 Q H H 74.15 10.15 23.47 33.60 91.37 51.66 -63.14 -41.68 1.34 0.10 98.56 0.39 0.13 0.78 97.94 0.67 0.00 0.09 0.01 71 L H H 52.03 6.71 23.91 31.41 91.53 50.82 -63.88 -42.37 1.47 0.15 98.38 0.36 0.16 0.91 97.62 0.80 0.00 0.14 0.01 72 A H H 6.71 18.45 17.98 37.31 91.68 50.72 -63.93 -42.09 2.08 0.17 97.75 0.56 0.23 1.23 96.75 1.07 0.01 0.14 0.01 73 I H H 27.76 18.36 17.84 35.73 92.65 48.05 -66.80 -39.08 4.34 0.13 95.53 0.71 0.42 3.11 93.83 1.80 0.02 0.08 0.03 74 R H H 141.14 4.43 20.78 25.74 92.57 51.56 -68.81 -31.17 13.93 0.09 85.99 0.83 1.01 12.00 84.74 1.29 0.05 0.04 0.04 75 N C T 86.99 5.98 17.59 24.19 101.15 33.22 -104.58 8.97 61.17 0.26 38.57 9.50 6.43 43.25 38.87 1.68 0.02 0.09 0.16 76 D C C 47.00 16.67 11.07 26.61 104.38 130.89 -74.16 84.73 57.34 0.44 42.21 49.89 4.17 3.04 40.67 1.85 0.00 0.14 0.24 77 E H H 133.80 2.03 18.61 20.61 93.54 68.45 -65.13 -38.16 7.36 0.06 92.58 1.58 1.00 4.69 87.72 4.93 0.02 0.03 0.02 78 E H H 89.94 5.74 18.88 25.36 92.31 50.86 -65.87 -40.13 4.22 0.07 95.71 1.07 0.45 2.70 91.14 4.56 0.01 0.05 0.01 79 L H H 7.08 22.67 12.53 35.26 91.73 50.62 -64.32 -41.95 2.31 0.06 97.62 0.72 0.29 1.29 93.91 3.74 0.01 0.04 0.01 80 N H H 62.33 11.92 16.98 29.25 91.22 53.68 -63.36 -37.96 2.83 0.06 97.11 0.72 0.29 1.75 93.93 3.25 0.01 0.04 0.01 81 K H H 143.28 1.51 21.73 21.96 92.09 52.62 -66.05 -38.51 5.12 0.06 94.82 0.49 0.38 4.27 90.77 4.01 0.03 0.04 0.02 82 L H H 46.43 13.97 17.61 31.59 94.42 46.03 -72.20 -38.59 7.68 0.10 92.23 0.50 0.64 6.72 89.62 2.37 0.06 0.05 0.04 83 L H H 19.58 20.77 14.28 34.39 97.75 38.42 -90.66 -15.53 25.71 1.49 72.80 4.97 4.97 17.70 68.17 2.49 0.30 0.68 0.72 84 G C T 36.94 4.98 19.57 25.48 112.44 -144.63 71.06 -139.65 75.89 5.48 18.63 23.53 16.15 36.22 13.34 5.45 0.07 3.97 1.27 85 K C T 138.45 3.62 19.79 24.13 116.48 -10.92 -96.58 131.76 64.57 17.11 18.32 23.62 15.60 26.70 10.74 6.89 0.17 14.50 1.78 86 V C C 34.82 19.83 11.90 30.72 121.01 -163.40 -113.57 133.70 58.08 28.32 13.61 47.28 6.57 3.21 10.32 3.88 0.03 26.48 2.21 87 T E E 71.87 6.20 21.86 28.61 117.90 -159.77 -108.22 131.51 37.38 50.63 11.98 31.05 3.11 2.09 10.05 2.83 0.03 46.94 3.90 88 I E E 50.68 17.38 13.90 30.58 112.95 -156.31 -99.03 122.74 32.55 50.27 17.18 24.60 4.43 3.50 13.37 5.12 0.07 45.46 3.44 89 A C E 49.97 9.51 15.43 25.59 108.64 -135.75 -87.65 126.78 40.45 33.07 26.48 24.31 7.83 10.58 11.39 13.87 0.13 29.62 2.26 90 Q C T 132.42 3.40 16.82 20.91 102.87 -1.79 -84.76 62.01 51.86 19.77 28.38 14.06 11.41 29.17 8.15 18.07 0.37 16.04 2.73 91 G C T 45.05 6.50 16.16 23.29 106.94 -13.83 83.26 1.19 72.62 5.03 22.36 13.36 15.31 44.78 4.35 17.11 0.04 3.63 1.42 92 G C T 29.50 11.67 16.31 27.91 115.58 -61.73 90.10 6.18 77.85 16.64 5.51 25.88 24.79 28.54 1.14 4.01 0.02 13.51 2.10 93 V C C 54.51 13.38 17.03 30.62 121.36 -70.18 -107.56 135.32 54.10 42.95 2.95 34.77 15.51 3.96 1.67 1.75 0.09 26.43 15.81 94 L C C 36.28 16.61 14.44 31.27 112.14 -134.81 -93.82 120.12 75.22 22.24 2.53 62.30 10.09 2.42 1.17 1.52 0.00 19.29 3.21 95 P C T 73.88 7.72 17.45 26.00 104.91 -141.57 -66.38 124.76 77.79 14.02 8.19 24.67 13.15 40.80 2.97 4.67 0.03 12.28 1.44 96 N C T 112.33 3.65 18.84 23.05 98.42 26.26 -74.15 36.66 76.87 12.93 10.20 23.45 13.53 41.05 3.71 5.74 0.04 10.95 1.54 97 I C C 34.81 20.08 10.19 28.99 113.26 146.27 -89.81 126.92 62.92 22.94 14.15 50.95 7.63 4.44 7.56 6.91 0.03 18.24 4.24 98 Q C C 117.07 4.41 19.22 24.51 108.71 -168.78 -97.53 83.92 52.94 26.29 20.78 42.30 6.28 4.81 10.59 9.91 0.04 23.10 2.98 99 A C C 47.17 12.89 14.10 26.99 116.22 101.41 -93.90 135.64 40.78 26.59 32.64 27.66 8.55 7.19 9.66 20.32 0.07 24.82 1.74 100 V C E 73.80 9.85 15.15 25.67 113.56 -145.60 -97.68 120.25 39.60 28.98 31.43 26.50 8.13 7.88 8.42 20.14 0.07 27.00 1.85 101 L C C 76.95 11.30 13.44 25.13 109.28 -150.95 -94.29 85.75 44.43 31.05 24.52 29.14 9.26 8.58 7.52 15.77 0.15 24.37 5.21 102 L C C 76.98 9.87 11.57 22.50 118.64 35.53 -104.31 130.47 84.94 14.83 0.23 78.92 5.04 0.60 0.10 0.13 0.00 13.69 1.53 103 P C C 89.99 4.73 15.65 21.63 111.36 -106.25 -66.86 144.06 99.79 0.20 0.01 99.66 0.13 0.05 0.00 0.00 0.00 0.14 0.01