# 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 117.97 5.31 11.05 18.07 118.26 -159.24 -103.22 133.00 99.56 0.43 0.02 99.55 0.12 0.03 0.01 0.00 0.00 0.25 0.04 1 I C C 125.10 2.87 9.25 13.91 116.12 -153.02 -97.84 127.68 83.53 14.68 1.79 80.73 1.31 1.84 0.82 0.73 0.00 9.31 5.26 2 C C C 92.70 3.71 7.44 13.00 116.69 -151.29 -95.28 138.67 86.22 10.06 3.72 64.98 12.41 8.57 1.17 2.54 0.00 7.60 2.73 3 G C C 53.40 2.43 10.02 13.66 113.97 -136.72 -93.98 165.80 87.46 5.39 7.14 52.65 21.82 13.32 1.91 5.16 0.00 3.36 1.77 4 E C C 147.04 2.20 9.85 13.48 108.51 -86.07 -83.94 94.30 82.66 3.25 14.09 40.60 22.81 20.07 4.03 9.34 0.01 1.70 1.43 5 G C C 47.82 4.32 9.54 15.37 109.62 60.61 -81.00 56.83 79.21 3.07 17.72 42.03 20.47 17.38 4.84 12.28 0.01 1.58 1.41 6 D C C 105.56 2.71 10.91 14.89 104.36 62.44 -88.45 16.60 75.24 4.67 20.09 47.32 15.76 12.44 6.53 13.39 0.01 2.63 1.92 7 Y C C 130.18 6.37 8.01 15.69 105.21 86.48 -88.92 31.55 75.57 6.39 18.04 53.80 12.06 9.32 6.37 11.92 0.01 3.69 2.83 8 V C C 111.53 2.63 10.21 14.21 99.64 109.08 -82.81 -13.52 80.39 5.28 14.32 38.98 25.20 17.41 5.06 8.28 0.03 2.98 2.07 9 K C S 156.71 1.37 10.50 12.60 104.12 54.32 -92.97 12.43 83.95 6.40 9.65 32.48 35.94 16.66 3.10 5.60 0.03 3.27 2.92 10 K C C 133.40 3.71 9.11 14.81 121.02 93.12 -99.72 146.00 96.24 3.43 0.33 50.91 45.00 0.90 0.10 0.19 0.00 1.87 1.03 11 P C C 84.97 5.67 9.32 16.87 115.03 -96.74 -67.42 148.53 95.85 3.69 0.46 88.98 5.54 1.42 0.11 0.32 0.00 2.89 0.74 12 S C C 87.18 1.99 11.54 14.85 116.27 -128.10 -92.83 135.89 75.66 23.66 0.68 69.43 4.68 1.13 0.25 0.44 0.00 17.82 6.25 13 Y C C 145.31 6.46 7.78 16.00 119.68 -150.09 -102.95 137.97 69.07 30.53 0.39 63.10 5.01 0.64 0.16 0.25 0.00 25.33 5.51 14 K C C 144.93 2.09 11.40 15.13 121.38 -163.08 -116.67 136.17 72.62 27.11 0.26 64.17 7.36 0.47 0.11 0.17 0.00 23.19 4.54 15 I C C 120.69 3.98 9.07 15.14 115.45 -135.71 -93.33 130.68 83.88 15.84 0.28 78.61 5.09 0.32 0.13 0.15 0.00 12.69 3.01 16 V C C 93.37 4.27 8.56 14.81 116.74 -140.08 -95.49 133.89 96.85 2.52 0.63 92.52 4.13 0.51 0.29 0.23 0.00 1.64 0.67 17 P C C 100.13 2.59 9.89 14.11 110.61 -112.67 -69.96 142.03 88.89 2.05 9.06 70.03 11.32 7.63 2.94 5.92 0.00 1.21 0.95 18 H C C 140.40 2.86 8.06 12.77 111.61 -142.53 -96.62 112.55 81.50 6.21 12.29 56.80 13.49 10.52 4.00 8.51 0.01 3.20 3.47 19 F C C 149.64 2.59 7.65 11.94 111.66 169.97 -99.65 110.47 63.70 12.77 23.54 25.99 17.93 21.61 4.86 16.44 0.33 5.81 7.04 20 L C T 137.23 1.54 9.73 12.10 99.75 -4.14 30.10 35.72 78.15 2.45 19.40 9.26 14.29 53.80 3.35 16.42 0.03 1.44 1.41 21 G C T 56.78 1.64 11.31 13.64 108.66 -70.02 87.18 1.65 86.66 2.61 10.73 18.14 20.36 48.15 1.47 9.30 0.01 1.59 0.99 22 F C C 103.49 6.99 7.80 16.40 118.10 126.07 -94.43 135.54 83.03 15.41 1.56 70.04 9.99 1.26 0.95 0.65 0.00 5.22 11.88 23 N C C 85.19 2.72 13.04 16.63 121.75 -141.67 -93.70 160.00 96.11 2.80 1.09 92.86 3.01 0.45 0.90 0.18 0.00 1.13 1.48 24 I H H 113.00 3.87 11.04 16.52 92.83 -109.35 -59.52 -36.82 7.35 0.04 92.61 0.93 0.87 5.41 89.62 3.12 0.02 0.02 0.02 25 P H H 89.67 1.66 13.95 15.44 92.63 53.81 -65.58 -38.30 7.33 0.03 92.64 0.57 0.54 6.06 88.88 3.89 0.03 0.02 0.01 26 T H H 60.15 4.58 12.69 18.93 92.75 48.97 -67.65 -39.05 5.20 0.05 94.75 0.68 0.49 3.88 90.46 4.41 0.04 0.03 0.02 27 V H H 62.07 7.14 11.36 20.18 92.43 52.50 -64.99 -40.25 2.43 0.02 97.55 0.48 0.24 1.54 94.48 3.24 0.01 0.01 0.01 28 S H H 66.45 2.87 14.56 17.99 92.45 52.30 -66.30 -35.79 4.79 0.02 95.19 0.30 0.22 4.07 86.98 8.40 0.01 0.01 0.00 29 K H H 132.36 2.03 15.23 17.31 93.78 50.78 -71.61 -30.84 15.56 0.02 84.41 0.28 0.44 15.47 74.72 9.03 0.03 0.01 0.01 30 W H H 113.89 6.86 13.05 21.35 96.87 46.61 -85.35 -19.30 15.26 0.02 84.72 0.48 0.73 14.20 78.61 5.93 0.03 0.01 0.02 31 I H H 78.58 6.91 13.52 21.85 92.64 72.05 -61.80 -43.01 1.53 0.00 98.47 0.41 0.17 0.73 97.80 0.88 0.00 0.00 0.00 32 P H H 79.95 2.63 16.80 19.33 92.03 50.43 -64.69 -39.81 0.81 0.00 99.19 0.18 0.05 0.48 97.96 1.33 0.00 0.00 0.00 33 I H H 91.76 3.03 17.15 20.40 92.44 49.05 -66.26 -40.72 0.37 0.00 99.63 0.07 0.02 0.22 98.51 1.17 0.00 0.00 0.00 34 F H H 91.60 6.43 15.72 23.21 92.37 49.91 -65.66 -40.54 0.26 0.00 99.74 0.04 0.02 0.16 99.54 0.25 0.00 0.00 0.00 35 G H H 33.17 5.23 15.97 22.08 91.99 51.88 -64.05 -41.25 0.44 0.00 99.56 0.05 0.02 0.30 99.50 0.12 0.00 0.00 0.00 36 I H H 101.26 2.17 18.27 19.74 92.24 49.35 -65.18 -41.47 0.55 0.00 99.45 0.05 0.03 0.41 99.41 0.10 0.00 0.00 0.00 37 W H H 134.94 3.46 18.00 21.62 92.40 49.00 -65.43 -41.36 0.40 0.00 99.60 0.05 0.03 0.27 99.57 0.08 0.00 0.00 0.00 38 G H H 28.88 6.81 15.87 23.80 92.15 51.02 -64.44 -41.93 0.36 0.00 99.64 0.05 0.02 0.23 99.65 0.06 0.00 0.00 0.00 39 A H H 58.25 3.73 18.12 21.74 92.10 50.21 -64.55 -41.48 0.23 0.00 99.77 0.03 0.01 0.15 99.77 0.05 0.00 0.00 0.00 40 A H H 60.03 2.49 18.74 20.68 92.23 50.00 -64.82 -41.42 0.21 0.00 99.79 0.03 0.01 0.13 99.80 0.04 0.00 0.00 0.00 41 A H H 52.35 4.50 17.40 22.61 92.22 50.37 -64.81 -41.33 0.14 0.00 99.86 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 42 G H H 31.53 6.03 16.75 23.61 92.03 51.15 -63.97 -41.97 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 43 I H H 94.83 2.86 18.61 21.05 92.04 49.94 -64.48 -41.85 0.08 0.00 99.92 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 44 G H H 35.64 2.91 17.39 20.51 91.67 50.38 -63.57 -41.74 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.03 0.00 0.00 0.00 45 A H H 49.71 4.98 15.61 21.73 91.76 50.63 -64.38 -40.99 0.12 0.00 99.87 0.00 0.00 0.09 99.85 0.05 0.00 0.00 0.00 46 L H H 83.11 4.99 14.90 20.80 92.17 50.84 -64.65 -40.44 0.20 0.00 99.80 0.01 0.00 0.16 99.66 0.16 0.00 0.00 0.00 47 F H H 130.18 2.20 15.29 17.66 92.42 50.14 -66.08 -39.30 0.80 0.00 99.20 0.02 0.02 0.76 98.65 0.55 0.00 0.00 0.00 48 L H H 110.79 2.44 14.38 17.13 93.37 49.18 -71.38 -33.03 4.78 0.00 95.21 0.08 0.13 4.90 94.12 0.77 0.00 0.00 0.00 49 I H H 92.63 5.62 11.64 18.69 99.03 44.59 -97.46 -4.20 28.28 0.12 71.60 1.43 2.14 24.53 69.82 1.87 0.08 0.04 0.09 50 E C T 118.97 4.66 11.13 17.56 107.54 116.92 -69.69 121.94 79.82 0.58 19.61 6.89 6.17 64.74 18.92 2.59 0.01 0.23 0.44 51 G C T 59.40 1.61 15.09 16.31 98.69 24.10 78.11 0.58 92.55 0.30 7.14 9.17 10.46 73.19 4.86 1.99 0.00 0.15 0.18 52 V C S 61.98 8.37 8.62 18.68 115.05 117.36 -90.06 131.04 96.71 1.36 1.93 44.71 50.57 1.47 1.65 0.34 0.00 0.41 0.84 53 P C C 69.79 4.17 12.75 18.49 112.62 -110.44 -65.12 147.29 88.42 4.25 7.33 82.40 3.55 1.86 6.97 0.86 0.00 1.47 2.88 54 R H H 150.19 3.34 12.07 16.98 93.02 -119.80 -61.08 -36.32 24.57 1.25 74.17 7.59 6.32 12.87 62.60 9.01 0.38 0.69 0.55 55 T H H 80.94 2.64 13.31 16.57 92.30 55.98 -65.41 -36.58 19.13 1.50 79.37 5.74 3.65 10.92 67.28 10.46 0.40 1.03 0.51 56 R H H 100.59 6.03 11.87 19.64 92.47 52.48 -67.31 -36.89 15.03 1.76 83.22 6.20 2.83 7.16 69.74 12.13 0.17 1.29 0.48 57 Q H H 91.20 5.96 12.54 19.81 92.67 52.89 -66.75 -38.82 16.40 1.40 82.20 5.19 3.59 9.30 72.44 7.46 0.65 0.81 0.57 58 D H H 92.30 2.00 14.78 16.56 94.38 47.89 -70.04 -38.84 27.54 1.14 71.33 3.15 4.22 20.78 61.95 7.24 1.40 0.56 0.69 59 I C T 96.73 2.94 14.30 17.80 97.64 37.73 -78.65 -40.03 50.11 1.06 48.83 1.83 4.43 42.18 41.27 7.80 1.19 0.50 0.81 60 L C T 68.60 8.41 11.58 21.34 96.02 43.78 -83.42 -23.34 49.56 2.39 48.05 4.37 6.24 36.43 33.72 15.00 1.43 1.27 1.56 61 S C T 62.14 5.87 12.05 19.57 92.27 68.40 -67.40 -22.77 62.75 2.79 34.46 8.81 8.86 43.95 18.16 16.84 0.30 1.54 1.54 62 K C T 149.37 1.75 14.24 16.00 96.05 55.70 -89.14 -2.27 70.34 2.92 26.74 13.92 10.59 45.64 9.91 16.78 0.11 1.66 1.39 63 I C C 79.80 6.96 8.18 17.13 114.78 104.83 -83.69 132.07 91.96 4.70 3.34 47.21 42.31 2.73 2.06 1.14 0.00 1.64 2.90 64 P C C 93.24 2.82 10.93 15.18 110.80 -111.17 -67.59 143.68 88.55 3.64 7.81 55.89 14.70 17.92 3.15 4.58 0.00 1.98 1.78 65 I C T 127.30 2.88 9.36 13.86 104.63 -124.38 -78.14 4.59 86.59 4.33 9.08 15.48 33.49 37.97 3.13 5.41 0.05 2.10 2.36 66 I C T 121.03 2.60 9.52 13.40 107.46 54.07 -95.97 64.37 79.69 8.75 11.56 22.74 25.24 32.29 3.54 7.04 0.11 3.65 5.39 67 G C C 39.48 4.76 9.44 15.86 115.32 112.21 -44.56 -172.78 67.38 3.78 28.85 32.82 16.73 18.49 3.75 24.48 0.01 1.79 1.93 68 E C G 148.24 1.80 11.89 14.26 95.66 -52.94 -73.17 -17.22 59.74 1.37 38.89 10.12 15.27 33.98 3.47 35.72 0.01 0.69 0.74 69 H C G 126.17 3.23 10.94 15.59 95.31 66.06 -80.24 -13.67 54.33 3.97 41.70 13.67 12.68 29.38 4.29 36.15 0.05 2.34 1.44 70 W C C 120.81 7.70 8.79 17.86 105.89 67.42 -95.02 30.52 62.63 15.18 22.19 44.83 10.28 7.64 5.35 16.71 0.03 9.27 5.91 71 I C C 101.06 4.93 10.48 17.29 114.18 99.47 -99.88 124.91 78.70 17.42 3.88 69.64 6.34 2.05 2.08 1.82 0.00 10.97 7.11 72 R C C 154.27 3.81 10.53 16.26 114.89 -163.09 -95.84 126.54 88.33 9.67 2.00 77.17 9.27 1.88 1.08 0.93 0.00 7.30 2.37 73 E C C 143.55 2.08 12.47 15.77 116.05 -122.48 -97.86 128.29 94.86 4.49 0.65 88.95 5.24 0.91 0.31 0.30 0.00 2.87 1.43 74 I C C 79.24 9.00 7.55 17.68 117.43 -151.63 -98.82 131.78 99.09 0.84 0.07 94.68 4.42 0.12 0.04 0.02 0.00 0.37 0.35 75 P C C 70.07 2.97 12.05 16.41 114.97 -109.65 -64.97 148.86 99.69 0.14 0.16 99.12 0.54 0.13 0.05 0.04 0.00 0.05 0.06 76 A H G 85.19 2.77 9.48 14.04 91.76 -110.86 -58.61 -32.74 13.14 0.11 86.75 1.90 1.40 7.38 0.94 88.30 0.00 0.08 0.01 77 S H G 90.98 1.17 10.95 12.61 92.13 61.79 -72.95 -15.60 12.13 0.09 87.77 0.80 1.03 8.00 0.70 89.40 0.00 0.06 0.01 78 D H G 84.30 5.43 9.86 16.95 97.46 60.88 -89.80 -0.54 12.17 0.17 87.66 2.03 1.79 5.90 0.83 89.32 0.00 0.11 0.01 79 N C S 75.49 7.40 8.85 17.90 112.01 93.49 -95.19 112.30 99.26 0.52 0.23 43.03 55.81 0.45 0.07 0.11 0.00 0.13 0.40 80 P C C 92.16 4.15 10.55 16.50 103.63 -150.70 -71.12 25.97 98.78 0.97 0.25 94.91 2.34 1.43 0.09 0.11 0.00 0.30 0.83 81 F C C 128.87 6.50 10.84 18.46 111.11 56.28 -88.87 127.30 99.80 0.18 0.02 99.59 0.20 0.07 0.01 0.00 0.00 0.06 0.06