# 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 139.63 3.98 17.97 22.91 108.61 -153.49 -89.50 104.41 99.82 0.17 0.01 99.43 0.37 0.08 0.00 0.00 0.00 0.10 0.02 1 F C C 97.40 10.57 14.31 25.55 121.00 -129.42 -96.72 141.56 78.15 21.32 0.53 76.33 1.58 0.29 0.40 0.11 0.00 5.47 15.82 2 C C C 18.37 16.37 12.13 29.16 115.00 -112.84 -73.69 143.29 93.79 5.51 0.71 90.94 2.79 0.34 0.59 0.11 0.00 2.39 2.84 3 R H H 124.61 5.22 19.61 25.76 92.27 -124.58 -61.05 -35.42 14.11 0.12 85.77 1.21 2.17 11.27 79.80 5.27 0.16 0.05 0.07 4 F H H 30.60 16.61 14.37 31.28 92.39 52.43 -66.34 -39.00 14.64 0.14 85.22 0.91 1.59 12.56 76.79 7.77 0.23 0.07 0.08 5 T H H 41.70 13.04 14.06 27.47 94.29 46.87 -71.08 -36.70 11.48 0.22 88.31 1.34 1.53 8.72 77.52 10.40 0.26 0.12 0.11 6 A H H 69.18 4.17 15.42 20.78 92.23 59.62 -67.95 -28.53 18.73 0.31 80.96 1.90 2.59 14.68 72.17 7.99 0.33 0.15 0.20 7 E C T 120.28 3.66 14.93 19.60 95.59 51.11 -85.97 -0.91 73.40 0.16 26.44 0.97 2.84 69.39 22.51 4.03 0.04 0.06 0.17 8 G C T 46.86 3.92 16.01 20.93 98.71 -104.83 84.19 12.27 95.55 0.08 4.37 4.43 3.23 88.52 2.77 0.96 0.00 0.04 0.05 9 V C C 36.75 16.67 8.79 24.83 111.92 152.05 -84.27 123.55 89.60 2.23 8.18 83.78 3.11 3.06 2.29 5.44 0.00 1.13 1.19 10 Q C C 132.48 2.63 17.93 21.38 100.13 156.51 -90.94 -21.30 87.54 2.64 9.82 46.76 29.35 10.82 1.62 8.92 0.00 1.50 1.02 11 E C C 119.72 3.71 20.01 24.48 124.86 30.38 -126.68 140.02 79.64 9.78 10.59 54.87 14.53 9.54 1.85 9.81 0.01 6.51 2.88 12 I C C 26.17 22.20 10.44 31.54 120.15 -160.92 -112.17 130.67 89.03 8.75 2.22 84.16 4.16 0.85 1.06 1.11 0.00 5.38 3.29 13 D C C 69.90 5.34 21.77 27.41 110.21 -154.49 -102.30 113.21 96.28 2.70 1.01 94.67 1.52 0.60 0.35 0.41 0.00 1.41 1.04 14 Y C T 67.92 18.35 11.87 29.74 94.00 -165.35 -71.71 -13.69 67.29 0.68 32.03 8.77 8.40 48.22 3.11 30.79 0.00 0.39 0.32 15 K C T 148.11 2.37 17.55 20.51 91.97 66.55 -75.94 -15.65 70.17 0.52 29.31 4.57 9.14 54.71 2.81 28.14 0.01 0.28 0.33 16 D C C 67.61 6.57 15.15 23.24 106.44 65.29 -108.58 84.26 76.50 1.47 22.02 55.24 10.43 9.49 4.10 19.19 0.00 0.67 0.89 17 I H H 60.67 16.05 11.60 27.29 93.82 165.04 -64.20 -34.95 8.02 0.07 91.91 3.13 1.30 3.72 81.46 10.32 0.01 0.03 0.03 18 A H H 72.81 2.04 18.88 20.46 91.52 59.12 -63.67 -38.66 3.07 0.01 96.92 0.23 0.22 2.34 83.39 13.79 0.00 0.01 0.00 19 T H H 46.39 8.21 17.51 27.10 92.54 50.40 -66.58 -38.82 2.17 0.01 97.82 0.17 0.15 1.68 84.09 13.90 0.00 0.01 0.00 20 L H H 6.31 24.58 12.29 36.74 91.73 52.98 -65.73 -36.35 2.72 0.02 97.26 0.29 0.23 1.95 84.73 12.79 0.00 0.01 0.00 21 K H H 110.29 9.82 19.01 29.38 90.79 60.13 -63.44 -31.89 13.09 0.07 86.83 0.69 0.71 10.45 56.09 31.94 0.04 0.04 0.04 22 N H T 106.91 2.82 22.80 25.36 91.48 57.11 -74.87 -18.25 37.85 0.09 62.07 0.79 1.56 35.55 31.86 30.09 0.03 0.04 0.08 23 Y C T 30.80 18.81 16.22 35.24 96.92 48.70 -99.61 -7.20 51.90 0.51 47.59 3.48 4.84 42.34 19.09 29.58 0.03 0.31 0.32 24 I E B 24.36 20.25 13.11 33.20 123.02 88.18 -100.26 140.85 5.03 94.84 0.13 2.91 0.53 0.02 0.14 0.01 0.00 9.42 86.98 25 T C C 42.76 8.22 15.60 25.52 123.75 -133.20 -81.40 171.13 94.51 5.39 0.10 95.23 0.36 0.09 0.04 0.03 0.00 3.21 1.04 26 E C T 161.08 1.67 14.54 17.25 89.96 -92.34 -63.05 -22.53 99.00 0.52 0.48 0.46 3.32 95.44 0.04 0.31 0.00 0.33 0.09 27 S C T 78.46 2.07 17.30 19.08 92.39 56.59 -86.15 -3.64 99.46 0.11 0.43 0.23 3.12 96.22 0.02 0.33 0.00 0.06 0.03 28 G C S 16.45 16.15 12.98 29.18 95.60 -107.28 83.50 8.00 99.48 0.32 0.20 10.73 87.85 1.03 0.02 0.13 0.00 0.13 0.12 29 K C C 99.78 5.14 22.11 28.22 120.16 136.15 -86.39 145.77 94.23 5.69 0.08 76.49 17.90 0.23 0.03 0.04 0.00 2.94 2.37 30 I E B 28.63 21.25 14.90 35.93 112.63 -112.19 -78.60 131.29 8.14 91.78 0.08 5.83 0.52 0.02 0.08 0.01 0.00 11.51 82.02 31 V C C 34.48 13.86 18.08 32.85 116.12 -130.96 -86.37 132.37 93.31 6.61 0.07 92.43 1.49 0.07 0.04 0.03 0.00 5.30 0.64 32 P C C 48.22 9.18 19.25 29.45 113.78 -106.65 -66.45 146.10 93.09 3.19 3.72 89.40 2.86 1.33 1.95 1.37 0.00 1.85 1.23 33 S H G 56.07 12.30 13.36 26.09 92.66 -121.72 -62.36 -25.35 47.46 1.04 51.51 13.34 9.99 24.29 16.05 35.18 0.03 0.53 0.59 34 R H G 170.42 1.96 17.72 19.77 91.91 65.27 -72.02 -18.58 44.48 2.03 53.49 10.78 9.34 24.41 18.91 34.33 0.14 1.09 1.00 35 I H G 72.43 10.71 13.58 24.98 99.15 57.34 -90.06 -6.67 47.36 4.33 48.30 19.01 13.13 16.93 19.39 27.20 0.19 2.16 2.00 36 T C C 47.02 14.89 11.84 26.18 106.21 70.26 -95.73 9.36 74.36 4.73 20.91 42.40 17.98 14.39 15.08 5.33 0.07 1.93 2.83 37 G C S 54.66 2.99 17.97 21.47 99.02 -108.16 81.18 4.00 90.04 2.48 7.48 26.23 43.90 20.61 3.83 2.98 0.01 1.15 1.28 38 T C S 44.85 13.92 10.63 24.54 121.44 109.42 -97.78 151.98 88.48 3.73 7.79 31.72 47.37 9.70 5.14 2.34 0.02 1.47 2.23 39 R C C 129.16 3.81 17.31 21.45 114.98 -99.84 -75.31 151.46 89.05 4.20 6.75 78.59 7.30 2.51 5.87 1.29 0.00 1.45 2.98 40 A H H 66.01 6.32 13.56 21.49 92.85 -112.89 -58.35 -39.34 2.58 0.01 97.41 0.71 0.45 1.20 97.12 0.51 0.00 0.00 0.00 41 K H H 132.90 1.86 18.85 20.17 91.73 53.46 -64.46 -39.77 1.10 0.00 98.89 0.18 0.10 0.70 98.56 0.46 0.00 0.00 0.00 42 Y H H 62.41 11.75 16.70 29.28 92.50 48.05 -66.65 -40.54 0.44 0.00 99.56 0.09 0.04 0.25 99.22 0.40 0.00 0.00 0.00 43 Q H H 37.86 16.42 15.73 32.06 91.82 52.89 -62.94 -42.03 0.16 0.00 99.84 0.02 0.01 0.08 99.80 0.08 0.00 0.00 0.00 44 R H H 129.97 3.32 22.94 26.11 91.50 50.23 -64.17 -41.13 0.15 0.00 99.85 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 45 Q H H 77.02 6.42 22.87 29.55 91.70 49.48 -64.57 -41.76 0.12 0.00 99.88 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 46 L H H 14.11 20.86 18.49 39.23 92.14 49.87 -64.74 -42.06 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 47 A H H 27.20 12.69 21.43 34.56 91.60 51.60 -63.08 -42.21 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 48 R H H 127.11 2.71 26.02 27.87 91.56 49.66 -64.30 -41.72 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 49 A H H 17.81 12.60 21.03 34.79 91.77 50.21 -64.10 -42.70 0.17 0.00 99.83 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 50 I H H 15.25 20.97 19.00 39.60 91.82 49.82 -63.95 -42.99 0.20 0.00 99.80 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 51 K H H 96.44 6.95 23.46 30.69 91.49 50.78 -63.21 -41.87 0.21 0.00 99.79 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 52 R H H 112.22 3.97 23.26 27.06 91.72 49.39 -64.59 -41.73 0.22 0.00 99.78 0.02 0.01 0.15 99.72 0.11 0.00 0.00 0.00 53 A H H 10.68 14.87 15.76 32.18 91.72 50.96 -63.67 -42.26 0.26 0.00 99.74 0.02 0.01 0.17 99.60 0.20 0.00 0.00 0.00 54 R H H 84.21 11.42 16.52 28.42 92.10 50.94 -63.98 -41.10 0.53 0.00 99.47 0.04 0.02 0.41 99.20 0.33 0.00 0.00 0.00 55 Y H H 142.26 2.89 17.11 20.42 92.27 48.86 -66.55 -38.11 1.27 0.00 98.73 0.06 0.05 1.12 98.40 0.37 0.00 0.00 0.00 56 L H H 94.67 4.35 14.80 20.27 94.59 49.33 -78.44 -23.44 12.12 0.02 87.86 0.19 0.35 12.76 85.85 0.81 0.03 0.00 0.01 57 S C T 72.52 5.10 14.86 20.98 98.25 -2.89 -76.61 -5.80 67.45 0.04 32.51 0.40 1.29 65.39 32.05 0.82 0.00 0.01 0.03 58 L C T 93.65 6.01 14.86 22.04 99.02 52.36 -88.56 -13.33 83.78 0.33 15.89 4.82 13.29 63.64 16.54 1.30 0.01 0.11 0.30 59 L C S 56.55 12.08 9.91 22.66 118.19 62.65 -107.17 132.99 95.04 1.21 3.75 38.68 52.81 3.75 1.93 1.59 0.00 0.46 0.79 60 P C C 86.75 3.98 14.26 19.48 106.02 -121.33 -68.78 131.30 94.10 0.83 5.07 67.35 16.11 10.29 1.39 4.00 0.00 0.44 0.42 61 Y C C 145.43 5.89 11.22 18.69 111.68 -139.31 -93.80 119.39 85.28 5.48 9.25 62.99 11.96 9.43 3.42 6.11 0.00 2.59 3.50 62 T C C 76.85 6.08 9.96 17.74 118.52 124.52 -106.63 138.94 86.65 3.54 9.81 64.99 12.54 8.83 3.68 6.28 0.00 2.01 1.67 63 D C C 105.00 3.47 9.69 14.98 107.78 -148.65 -88.62 88.21 84.08 2.00 13.92 48.96 20.17 15.01 3.60 10.31 0.00 1.06 0.89 64 R C C 165.50 2.53 9.24 13.44 107.91 117.19 -91.09 95.84 84.09 1.81 14.10 47.99 18.53 17.37 3.03 11.31 0.00 0.95 0.81 65 H C C 130.68 3.98 7.27 13.16 111.34 92.79 -93.04 115.86 89.75 1.56 8.69 78.83 2.19 10.05 2.27 5.05 0.00 0.98 0.64 66 Q C C 132.46 2.68 10.90 15.33 113.18 -161.33 -99.00 121.49 99.79 0.13 0.08 99.60 0.14 0.13 0.03 0.01 0.00 0.07 0.02