# 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 69.43 5.96 10.44 18.06 118.94 -169.60 -103.71 139.98 99.74 0.17 0.09 99.58 0.14 0.11 0.04 0.01 0.00 0.09 0.03 1 R C C 167.78 2.30 9.29 13.36 117.35 -159.37 -104.59 135.06 89.61 2.86 7.53 84.33 1.60 4.50 4.55 2.17 0.00 1.67 1.17 2 Y C C 166.92 2.69 7.69 12.28 114.58 -147.50 -98.18 130.66 84.75 3.77 11.49 60.86 15.02 8.74 6.78 4.78 0.00 2.27 1.54 3 F C C 141.00 3.75 7.59 13.30 114.95 -156.18 -99.20 130.04 82.33 3.18 14.49 62.27 12.80 7.07 7.92 6.68 0.00 1.91 1.35 4 R C C 162.45 2.76 9.37 13.98 114.04 -152.65 -96.78 130.50 82.43 2.86 14.71 63.38 12.06 6.77 8.69 6.14 0.00 1.61 1.35 5 R C C 157.08 3.74 9.61 15.32 113.59 -136.25 -91.26 130.20 81.24 2.48 16.28 62.34 11.52 7.18 8.15 8.20 0.00 1.36 1.24 6 R C C 137.19 6.30 10.46 18.32 114.97 -132.58 -87.70 135.08 83.26 2.49 14.24 57.29 15.85 10.32 6.17 7.82 0.00 1.39 1.16 7 K C C 140.79 3.70 14.39 19.41 105.78 -150.47 -89.48 33.55 83.52 5.04 11.43 58.38 15.30 10.26 4.33 6.64 0.01 3.15 1.93 8 F C C 86.22 10.45 13.75 25.12 124.65 37.81 -114.45 148.81 84.14 11.57 4.29 66.81 13.86 2.22 2.66 1.69 0.00 4.50 8.24 9 C C C 23.56 14.54 13.70 29.21 115.89 -113.41 -78.28 146.38 93.35 4.29 2.37 86.93 5.50 0.76 2.12 0.39 0.00 1.57 2.73 10 R H H 121.93 6.09 19.23 26.34 92.51 -118.91 -61.88 -34.72 15.85 0.22 83.93 1.97 2.90 11.62 76.35 6.70 0.22 0.10 0.13 11 F H H 42.41 14.63 15.52 30.65 92.38 53.27 -66.45 -38.62 16.16 0.24 83.59 1.42 1.98 12.98 73.95 9.12 0.28 0.14 0.13 12 T H H 37.62 13.63 14.56 28.50 94.82 47.28 -72.78 -35.17 13.38 0.35 86.28 2.14 1.94 9.55 74.59 11.12 0.30 0.21 0.15 13 A H H 57.80 7.22 14.86 23.38 92.43 62.65 -67.77 -26.86 21.53 0.60 77.86 3.21 3.69 15.57 67.97 8.44 0.45 0.31 0.35 14 E C T 122.92 3.65 15.68 20.18 96.31 51.78 -85.91 0.45 72.19 0.21 27.60 1.26 3.14 67.26 23.25 4.74 0.05 0.09 0.21 15 G C T 48.65 3.69 16.60 20.96 99.02 -99.01 85.52 9.37 92.30 0.13 7.57 4.85 3.99 83.84 5.55 1.63 0.00 0.07 0.08 16 V C C 34.86 17.04 8.71 25.13 112.69 152.74 -84.01 125.17 91.06 3.54 5.39 85.71 3.14 2.39 1.84 3.24 0.00 1.88 1.81 17 Q C C 132.60 2.56 18.24 21.55 100.66 -175.18 -93.67 -21.70 89.77 4.37 5.86 52.78 29.20 7.64 1.13 5.15 0.00 2.79 1.31 18 E C C 117.70 3.97 20.20 25.04 125.48 24.58 -129.12 138.24 76.72 16.86 6.41 55.05 14.13 7.26 1.36 5.90 0.01 12.46 3.85 19 I C C 23.20 22.16 10.92 32.24 120.99 -163.82 -116.53 130.14 81.59 17.06 1.35 77.84 3.15 0.58 0.70 0.69 0.00 12.04 5.00 20 D C C 65.66 5.73 22.08 28.15 110.27 -155.52 -102.23 113.99 94.12 5.34 0.54 93.29 1.21 0.33 0.19 0.22 0.00 3.26 1.49 21 Y C T 67.26 18.32 12.33 30.27 93.47 -162.77 -69.26 -16.27 62.65 0.48 36.87 3.84 5.95 51.01 2.81 35.90 0.00 0.28 0.22 22 K C T 146.50 2.56 17.84 21.04 91.95 65.39 -75.50 -14.61 66.52 0.35 33.13 2.28 6.01 56.35 2.54 32.40 0.00 0.19 0.23 23 D C C 66.50 6.84 15.29 23.60 105.10 64.72 -106.02 82.32 72.40 1.47 26.13 51.13 9.76 9.94 4.14 23.49 0.00 0.67 0.86 24 I H H 54.92 16.78 11.62 27.95 93.86 165.58 -64.11 -35.13 6.06 0.05 93.89 1.75 0.85 3.24 80.97 13.15 0.00 0.02 0.02 25 A H H 71.52 2.24 18.85 20.80 91.43 58.58 -63.62 -38.83 2.66 0.01 97.33 0.17 0.17 2.09 80.60 16.95 0.00 0.01 0.00 26 T H H 49.46 7.53 17.78 26.61 92.36 50.43 -66.79 -38.75 2.01 0.01 97.97 0.14 0.13 1.59 80.94 17.19 0.00 0.01 0.00 27 L H H 7.04 24.24 12.34 36.39 91.80 53.17 -65.76 -35.78 2.85 0.02 97.13 0.29 0.23 2.04 82.38 15.05 0.00 0.01 0.00 28 K H H 109.23 10.23 18.54 29.25 90.70 62.26 -63.23 -31.97 12.27 0.08 87.66 0.65 0.65 10.01 47.79 40.78 0.04 0.04 0.04 29 N H G 109.83 2.47 22.52 24.57 91.51 57.16 -75.17 -17.58 33.77 0.09 66.13 0.73 1.41 31.80 25.32 40.58 0.02 0.05 0.08 30 Y H G 37.57 17.69 16.06 33.97 97.22 49.85 -99.20 -6.45 46.18 0.54 53.28 3.28 4.55 37.08 14.67 39.76 0.02 0.34 0.30 31 I E B 25.46 19.98 12.63 32.45 122.02 89.58 -98.10 139.21 4.60 95.29 0.11 2.70 0.43 0.01 0.13 0.01 0.00 9.16 87.55 32 T C C 44.28 7.93 15.53 25.15 123.78 -134.41 -81.87 171.63 94.91 4.98 0.11 95.48 0.38 0.10 0.04 0.03 0.00 2.93 1.04 33 E C T 161.84 1.59 14.37 16.93 90.41 -91.53 -63.62 -22.38 98.84 0.63 0.53 0.49 3.24 95.39 0.06 0.32 0.00 0.36 0.14 34 S C T 78.75 2.04 17.13 18.89 92.70 56.25 -86.34 -3.81 99.42 0.12 0.46 0.24 3.21 96.08 0.03 0.35 0.00 0.06 0.03 35 G C S 16.64 15.95 12.92 28.97 95.65 -107.45 83.62 7.99 99.45 0.34 0.22 10.78 87.66 1.14 0.02 0.14 0.00 0.13 0.13 36 K C C 99.81 5.08 22.09 28.17 120.51 135.85 -86.38 145.52 94.07 5.85 0.08 75.44 18.86 0.24 0.04 0.04 0.00 2.91 2.47 37 I E B 27.83 21.35 14.61 35.77 112.60 -112.26 -79.21 130.17 7.78 92.14 0.08 5.70 0.43 0.02 0.08 0.01 0.00 10.56 83.19 38 V C C 35.91 13.19 18.19 32.38 116.71 -143.26 -91.78 134.02 93.13 6.78 0.09 92.28 1.40 0.09 0.04 0.03 0.00 5.42 0.73 39 P C C 51.11 9.06 19.11 29.11 114.07 -106.12 -66.07 149.18 91.73 3.43 4.83 86.54 3.72 1.91 2.30 2.16 0.00 2.04 1.33 40 S C G 57.17 12.09 13.42 25.92 92.85 -119.05 -63.96 -23.94 57.83 1.68 40.49 19.72 14.53 24.49 10.89 28.58 0.03 0.83 0.94 41 R C G 164.84 2.36 17.52 20.24 93.82 65.96 -74.81 -14.19 52.49 4.06 43.45 18.49 12.31 23.28 14.10 27.74 0.12 2.20 1.76 42 I C C 71.40 11.26 12.96 24.75 100.06 63.31 -88.04 4.00 54.58 6.49 38.94 27.70 14.97 13.72 16.46 20.91 0.14 3.32 2.77 43 T C C 55.71 12.45 12.50 25.06 112.07 68.83 -101.60 77.02 74.40 5.39 20.21 40.69 18.81 15.32 14.22 5.71 0.06 2.52 2.67 44 G C S 53.34 3.20 17.18 21.01 99.16 -86.98 81.52 -0.59 81.85 2.05 16.10 18.17 38.53 26.03 10.02 5.08 0.05 0.92 1.20 45 T C S 53.09 11.72 11.97 24.29 117.92 99.52 -95.55 148.97 76.73 4.03 19.24 24.29 36.15 16.75 14.34 4.55 0.12 1.69 2.11 46 R C C 121.62 5.46 16.56 22.67 112.81 -102.35 -75.69 144.41 74.63 4.87 20.51 60.68 7.81 5.08 18.62 2.98 0.01 2.00 2.84 47 A H H 60.49 7.12 14.20 22.73 93.74 -117.65 -59.81 -38.97 3.67 0.03 96.31 1.31 0.61 1.58 95.78 0.71 0.00 0.01 0.01 48 K H H 129.23 2.08 19.36 20.98 92.00 53.36 -64.75 -39.89 1.42 0.01 98.57 0.33 0.14 0.82 98.17 0.54 0.00 0.01 0.00 49 Y H H 63.52 11.69 17.06 29.53 92.51 48.62 -66.58 -40.67 0.52 0.00 99.47 0.12 0.05 0.28 99.16 0.39 0.00 0.00 0.00 50 Q H H 39.91 15.87 16.06 31.92 92.00 52.78 -63.08 -42.03 0.18 0.00 99.82 0.03 0.01 0.09 99.78 0.08 0.00 0.00 0.00 51 R H H 131.01 3.20 22.85 25.85 91.64 50.13 -64.37 -41.39 0.14 0.00 99.86 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 52 Q H H 78.02 6.39 22.54 29.22 91.75 49.50 -64.85 -41.68 0.12 0.00 99.88 0.01 0.01 0.08 99.88 0.03 0.00 0.00 0.00 53 L H H 18.14 19.74 18.33 38.04 92.19 49.95 -64.76 -42.07 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 54 A H H 30.25 11.33 21.24 33.27 91.62 51.80 -62.99 -42.11 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 55 R H H 126.55 2.71 25.49 27.29 91.65 49.64 -64.33 -41.56 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 56 A H H 19.17 12.32 20.48 34.01 91.77 50.53 -63.98 -42.36 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 57 I H H 22.54 18.75 19.01 37.57 91.97 50.01 -64.06 -42.92 0.19 0.00 99.81 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 58 K H H 100.35 5.87 23.26 29.46 91.53 50.52 -63.30 -42.03 0.32 0.00 99.68 0.02 0.01 0.23 99.66 0.07 0.00 0.00 0.00 59 R H H 112.44 4.18 22.83 26.95 91.77 49.49 -64.62 -41.66 0.31 0.00 99.69 0.03 0.02 0.21 99.64 0.10 0.00 0.00 0.00 60 A H H 12.86 14.35 15.81 31.69 91.57 51.19 -64.00 -41.85 0.36 0.00 99.64 0.04 0.02 0.25 99.42 0.28 0.00 0.00 0.00 61 R H H 93.93 9.89 17.29 27.83 91.93 51.07 -63.84 -40.59 0.73 0.00 99.27 0.05 0.03 0.57 98.82 0.51 0.00 0.00 0.00 62 Y H H 140.25 2.80 17.44 20.53 92.30 49.78 -66.25 -38.49 1.38 0.00 98.62 0.08 0.06 1.17 98.08 0.60 0.00 0.00 0.00 63 L H H 88.84 5.30 14.69 21.16 93.70 51.22 -73.06 -28.44 8.00 0.01 91.98 0.22 0.29 7.88 90.46 1.13 0.01 0.00 0.01 64 S H H 70.92 5.24 14.88 21.17 96.79 34.84 -74.03 -12.12 49.51 0.04 50.45 0.62 1.23 47.88 48.67 1.54 0.01 0.01 0.03 65 L C T 93.97 5.56 14.13 20.89 98.78 56.27 -90.70 -8.10 69.95 0.33 29.72 5.19 8.74 54.07 29.10 2.48 0.03 0.11 0.29 66 L C S 66.44 10.13 9.66 20.84 113.67 91.85 -92.20 129.45 85.74 1.41 12.85 36.27 41.71 8.27 6.00 6.14 0.00 0.52 1.09 67 P C C 91.43 3.44 12.94 17.71 103.58 -120.77 -68.62 46.75 82.89 0.98 16.13 49.46 13.78 19.32 5.14 11.26 0.00 0.50 0.54 68 Y C C 152.99 4.25 10.64 16.51 106.73 69.47 -89.46 46.38 74.57 5.14 20.29 44.93 12.59 17.14 7.15 12.95 0.01 2.53 2.70 69 T C C 77.76 6.05 8.91 16.59 115.66 126.73 -103.06 131.17 78.57 3.85 17.58 49.16 14.92 14.57 6.81 10.69 0.01 2.11 1.74 70 D C C 110.81 2.58 9.37 13.64 107.77 -148.19 -89.08 93.79 84.29 2.56 13.15 48.38 17.76 18.39 4.27 8.72 0.00 1.40 1.08 71 R C C 166.16 2.60 8.70 13.16 109.54 125.33 -92.68 101.86 91.89 1.51 6.61 78.73 3.07 11.09 2.56 3.00 0.00 0.89 0.65 72 H C C 134.32 3.86 9.80 15.58 111.38 -158.16 -93.73 123.70 99.86 0.08 0.06 99.60 0.16 0.14 0.03 0.01 0.00 0.04 0.01