# 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 129.82 3.38 10.21 15.34 117.88 -150.71 -102.16 137.74 99.79 0.20 0.01 99.65 0.18 0.04 0.00 0.00 0.00 0.08 0.03 1 G C C 51.56 2.27 9.81 13.49 123.08 -125.46 -102.79 174.46 98.83 1.07 0.10 96.46 1.83 0.61 0.03 0.04 0.00 0.44 0.58 2 P C C 107.66 1.86 8.73 12.10 115.93 -71.87 -74.56 149.49 98.66 0.92 0.42 81.04 14.91 2.71 0.11 0.31 0.00 0.47 0.45 3 P C C 106.15 2.68 7.72 12.36 111.02 -90.85 -69.62 143.72 94.08 2.01 3.91 67.68 11.58 14.17 0.64 3.85 0.00 1.11 0.97 4 S C C 94.89 1.21 8.60 10.98 113.16 -146.65 -97.97 136.04 88.03 5.33 6.64 45.00 19.83 22.95 1.03 6.18 0.00 2.96 2.05 5 G C C 59.38 1.59 8.79 11.67 110.61 -19.27 88.60 102.54 88.03 5.12 6.84 36.87 26.47 24.90 1.02 6.17 0.00 3.15 1.42 6 K C C 154.64 2.04 8.24 12.09 115.90 -130.60 -96.96 133.03 81.62 12.73 5.66 50.72 20.16 11.02 1.32 4.63 0.01 9.54 2.61 7 T C C 101.51 2.29 8.64 12.86 120.09 -158.45 -109.56 139.23 70.02 26.14 3.84 53.15 11.38 4.56 1.53 2.58 0.01 21.60 5.18 8 Y C C 167.33 2.94 7.60 12.61 114.61 -135.88 -93.29 130.96 62.88 33.86 3.26 51.13 6.76 3.09 1.59 1.92 0.01 27.59 7.92 9 M C C 136.29 2.25 8.42 12.35 112.02 -166.42 -101.51 112.08 71.34 23.08 5.58 51.51 11.38 7.51 2.78 3.08 0.02 18.42 5.29 10 G C C 48.47 2.93 10.23 14.67 117.48 -70.44 91.94 -163.60 72.84 10.96 16.19 29.76 21.68 23.37 5.91 9.02 0.15 6.94 3.17 11 W C T 188.12 2.13 10.59 13.88 108.86 -43.58 -88.78 113.88 66.19 6.72 27.08 25.19 16.60 26.03 9.32 16.07 0.20 3.61 2.99 12 W C G 170.80 3.75 8.67 14.03 107.78 39.52 -81.94 122.13 54.20 3.92 41.88 13.29 11.79 29.82 10.61 30.10 0.20 2.28 1.91 13 G C G 49.31 3.93 10.88 16.22 104.00 22.70 73.63 -39.10 51.50 2.75 45.76 11.47 10.75 29.75 10.06 34.94 0.13 1.55 1.34 14 H C G 143.23 2.32 10.56 14.04 101.90 41.84 -91.29 17.27 52.14 4.41 43.45 18.16 12.73 23.65 9.13 31.80 0.14 2.39 1.99 15 M C T 127.81 3.04 8.25 13.10 104.86 123.72 -84.13 28.68 70.92 5.57 23.51 19.18 16.89 35.72 7.74 14.49 0.15 2.86 2.98 16 G C T 62.03 1.20 10.61 12.19 101.82 -33.20 85.90 4.60 89.86 3.96 6.18 32.26 25.20 33.02 1.40 4.43 0.00 2.02 1.66 17 G C C 41.95 4.16 7.83 13.99 125.03 123.47 -96.61 168.10 94.97 4.54 0.50 51.76 41.97 1.65 0.14 0.33 0.00 2.09 2.05 18 P C C 111.09 1.27 11.15 12.72 114.98 -70.25 -68.77 150.57 96.06 3.12 0.83 69.94 21.82 4.32 0.19 0.70 0.00 1.90 1.13 19 K C C 165.62 1.47 8.99 12.12 113.40 -99.39 -72.69 138.04 91.71 6.99 1.30 74.99 12.56 3.96 0.37 1.04 0.00 4.29 2.79 20 Q C C 122.11 3.66 6.37 12.18 116.66 -144.29 -100.13 133.39 83.76 14.86 1.38 75.35 5.85 1.85 0.54 0.86 0.00 8.30 7.26 21 K C C 175.43 0.63 8.47 9.48 115.42 -145.96 -90.59 134.04 79.82 16.69 3.49 39.94 16.63 24.64 1.20 2.15 0.02 11.37 4.06 22 G C T 65.77 0.58 9.39 9.59 100.47 15.35 84.03 -0.58 84.73 12.09 3.17 25.55 29.45 30.64 0.94 2.00 0.02 9.76 1.63 23 I C C 125.72 2.25 5.87 10.19 117.58 123.02 -99.08 130.45 69.90 27.24 2.86 54.38 10.56 4.06 1.52 1.52 0.02 23.16 4.77 24 T C C 110.62 1.28 7.69 10.49 119.08 -166.61 -111.20 133.49 60.07 36.28 3.65 49.56 6.73 2.97 2.33 1.50 0.03 34.23 2.65 25 S C C 88.31 1.83 7.64 11.57 121.37 -165.49 -117.92 139.55 54.20 41.44 4.36 45.15 5.59 2.52 2.92 1.54 0.01 40.26 2.01 26 Y C C 172.16 1.99 7.63 11.77 122.39 -167.01 -121.93 139.50 53.77 41.45 4.78 43.26 6.86 3.06 3.23 1.66 0.02 39.74 2.16 27 A C C 86.96 1.83 8.59 12.38 122.75 -163.92 -120.96 142.65 60.69 36.64 2.66 48.25 8.89 2.47 1.89 0.99 0.00 35.03 2.47 28 V C C 105.96 3.11 7.74 12.97 117.88 -147.58 -102.15 135.86 67.00 31.70 1.30 56.22 9.03 0.97 1.04 0.51 0.00 25.11 7.12 29 S C C 61.45 3.25 9.30 14.36 117.81 -124.15 -85.49 146.62 97.91 1.51 0.58 93.76 4.02 0.41 0.38 0.14 0.00 0.93 0.36 30 P H G 102.99 2.65 9.43 13.80 92.96 -119.39 -61.79 -28.58 32.27 0.34 67.39 3.92 3.56 22.86 24.68 44.62 0.02 0.19 0.15 31 Y H G 179.08 1.21 10.36 11.99 95.14 58.08 -78.58 -14.05 30.47 0.38 69.15 3.06 3.23 22.33 22.91 48.06 0.03 0.21 0.17 32 A H G 70.17 3.31 9.63 14.49 99.13 63.40 -84.78 -5.16 28.68 1.05 70.27 7.31 5.45 16.16 21.73 48.32 0.03 0.58 0.41 33 Q C C 98.91 5.34 8.46 15.57 111.19 91.16 -90.20 120.68 56.83 2.63 40.54 23.10 17.60 17.58 19.74 18.83 0.12 0.94 2.09 34 K C C 132.87 3.00 9.93 14.61 112.46 -141.95 -95.11 120.48 90.37 1.22 8.41 66.88 18.09 5.15 4.45 3.89 0.00 0.45 1.08 35 P C T 101.66 2.62 9.65 13.91 98.75 -134.47 -65.86 -24.66 86.07 0.59 13.34 12.82 9.00 64.33 5.32 7.79 0.00 0.28 0.46 36 L C T 118.86 2.26 10.28 13.64 98.99 49.04 -86.10 7.34 82.86 0.99 16.15 12.91 7.61 62.16 7.60 8.49 0.01 0.45 0.77 37 Q C T 109.69 3.54 10.48 15.79 105.39 122.09 -67.34 106.36 66.93 0.88 32.19 6.05 5.63 53.69 23.08 10.33 0.08 0.37 0.77 38 G C T 44.31 3.26 12.20 16.66 97.01 24.50 70.53 -13.97 59.56 0.34 40.10 4.98 5.35 48.39 31.42 9.34 0.07 0.16 0.28 39 I H H 97.64 2.72 11.23 15.32 93.33 79.26 -65.48 -40.60 23.75 0.70 75.55 7.64 4.41 12.49 62.41 12.12 0.22 0.35 0.36 40 F H H 133.86 1.66 12.99 14.74 92.78 49.13 -66.23 -39.96 17.15 0.96 81.88 4.24 3.20 10.61 69.72 10.46 0.76 0.49 0.51 41 H H H 116.95 2.02 13.43 15.72 93.37 46.58 -68.65 -39.93 18.63 0.90 80.48 3.72 3.48 12.28 69.58 9.09 0.90 0.44 0.52 42 N H H 85.71 2.94 13.15 17.07 93.74 47.24 -68.42 -39.17 21.76 0.65 77.60 3.52 4.04 15.03 70.07 5.89 0.74 0.27 0.45 43 A H H 58.77 2.63 13.46 16.83 93.47 50.73 -66.59 -41.38 22.89 0.68 76.43 3.32 3.89 15.98 68.87 6.39 0.79 0.31 0.45 44 V H H 87.61 1.89 14.48 16.18 93.07 46.17 -67.17 -41.54 23.13 0.84 76.03 3.09 3.53 16.79 68.79 5.93 0.93 0.40 0.54 45 F H H 112.79 2.30 14.21 16.88 93.11 48.13 -66.75 -40.42 22.74 0.85 76.40 4.56 4.27 15.15 69.57 4.97 0.59 0.40 0.50 46 N H H 77.33 3.28 13.47 17.95 92.98 50.05 -66.96 -38.16 27.17 0.59 72.24 8.09 4.56 15.61 67.94 3.05 0.14 0.26 0.34 47 S H H 55.49 2.86 13.89 17.69 92.39 52.02 -64.44 -41.04 16.40 0.24 83.36 3.29 2.80 10.90 80.67 1.98 0.11 0.10 0.13 48 F H H 119.95 1.76 14.87 16.33 92.17 50.24 -64.92 -41.18 5.10 0.08 94.82 1.15 0.86 3.20 93.24 1.44 0.04 0.04 0.03 49 R H H 125.35 2.23 14.24 16.81 92.25 50.07 -65.21 -40.63 3.15 0.06 96.78 0.79 0.42 2.00 95.01 1.69 0.03 0.04 0.02 50 R H H 125.52 2.64 13.33 16.84 92.08 50.03 -65.00 -40.34 3.42 0.05 96.53 0.64 0.39 2.38 94.43 2.09 0.03 0.03 0.02 51 F H H 119.06 2.29 13.40 16.26 92.50 48.45 -66.54 -39.98 4.00 0.03 95.97 0.57 0.41 2.93 93.88 2.16 0.02 0.01 0.01 52 K H H 130.64 1.62 14.35 15.66 92.46 49.57 -66.53 -38.23 6.42 0.02 93.55 0.47 0.42 5.34 88.90 4.82 0.02 0.01 0.01 53 S H H 66.52 2.41 13.44 16.33 93.91 47.23 -74.63 -28.65 27.23 0.03 72.74 0.51 0.83 26.35 66.97 5.27 0.03 0.01 0.02 54 Q H H 89.81 4.55 11.34 17.54 96.67 51.07 -83.89 -17.00 41.18 0.04 58.78 1.27 1.41 38.14 53.60 5.52 0.02 0.02 0.04 55 F H H 119.36 2.75 11.99 16.04 92.52 72.22 -62.59 -40.09 8.25 0.05 91.70 1.64 1.05 5.01 79.39 12.85 0.02 0.03 0.02 56 L H H 110.42 1.44 13.60 14.60 92.74 51.36 -66.25 -37.15 3.57 0.02 96.42 0.27 0.21 2.66 79.13 17.70 0.00 0.01 0.00 57 Y H H 137.12 2.39 12.86 15.96 93.96 48.17 -72.08 -36.17 3.80 0.02 96.18 0.21 0.21 3.07 79.47 17.02 0.00 0.01 0.00 58 V H H 83.89 2.98 12.73 16.77 94.59 46.75 -73.81 -37.03 9.77 0.04 90.19 0.48 0.67 8.59 81.44 8.75 0.04 0.02 0.02 59 L H H 95.25 1.92 14.25 16.18 92.72 52.95 -65.22 -42.02 5.13 0.02 94.84 0.92 1.09 2.77 94.49 0.72 0.00 0.00 0.01 60 I H H 94.35 1.97 14.88 16.73 92.49 49.07 -64.54 -41.86 2.09 0.00 97.90 0.42 0.19 1.22 97.58 0.58 0.00 0.00 0.00 61 P H H 66.84 3.16 14.22 18.45 91.99 49.19 -64.36 -40.63 1.21 0.00 98.78 0.20 0.07 0.77 98.32 0.64 0.00 0.00 0.00 62 A H H 59.42 2.38 15.01 17.71 91.86 50.19 -64.42 -40.64 0.51 0.00 99.49 0.06 0.03 0.33 99.26 0.33 0.00 0.00 0.00 63 G H H 38.20 2.00 15.18 17.08 91.80 50.49 -63.99 -41.67 0.42 0.00 99.57 0.04 0.02 0.28 99.55 0.11 0.00 0.00 0.00 64 I H H 94.72 1.98 15.32 17.12 91.90 49.63 -64.58 -41.53 0.34 0.00 99.66 0.02 0.01 0.24 99.67 0.06 0.00 0.00 0.00 65 Y H H 122.88 2.34 14.86 17.55 91.81 50.31 -64.06 -41.50 0.21 0.00 99.79 0.01 0.01 0.14 99.80 0.03 0.00 0.00 0.00 66 W H H 140.36 2.07 14.99 17.11 91.75 50.14 -63.94 -41.58 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 67 Y H H 128.12 2.04 15.08 17.13 91.88 50.01 -64.19 -41.74 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 68 W H H 143.90 2.17 15.12 17.42 91.77 49.58 -64.37 -41.87 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 69 W H H 142.83 2.32 15.36 17.83 91.99 48.84 -64.96 -41.54 0.14 0.00 99.86 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 70 K H H 112.40 2.21 16.24 18.21 92.02 49.42 -65.27 -41.31 0.60 0.00 99.40 0.03 0.02 0.49 99.40 0.05 0.00 0.00 0.00 71 N H H 82.58 2.39 16.07 18.49 92.17 49.25 -64.84 -40.97 2.16 0.00 97.84 0.13 0.12 1.74 97.86 0.14 0.00 0.00 0.00 72 G H H 32.06 3.49 14.71 19.45 92.00 51.45 -63.71 -41.32 2.42 0.00 97.57 0.28 0.22 1.72 97.58 0.19 0.00 0.00 0.00 73 N H H 88.80 2.31 16.70 18.81 92.10 49.89 -65.23 -40.92 1.27 0.00 98.72 0.19 0.13 0.83 98.65 0.18 0.00 0.00 0.00 74 E H H 103.89 2.58 16.82 19.45 92.16 50.25 -65.09 -41.26 0.81 0.00 99.19 0.10 0.06 0.54 99.13 0.16 0.00 0.00 0.00 75 Y H H 114.50 4.22 15.77 21.07 92.14 50.38 -64.65 -41.34 0.49 0.00 99.50 0.06 0.03 0.31 99.47 0.12 0.00 0.00 0.00 76 N H H 77.89 3.63 15.94 20.46 91.95 50.45 -64.85 -40.12 0.59 0.00 99.41 0.07 0.04 0.40 99.26 0.23 0.00 0.00 0.00 77 E H H 101.56 2.22 16.77 18.76 91.87 50.56 -64.81 -40.55 0.75 0.00 99.25 0.06 0.04 0.58 98.77 0.54 0.00 0.00 0.00 78 F H H 88.47 5.27 14.40 21.25 92.61 49.84 -66.74 -38.70 1.61 0.00 98.39 0.08 0.08 1.38 97.34 1.12 0.00 0.00 0.00 79 L H H 81.75 6.53 13.34 21.38 92.49 53.08 -71.04 -27.02 13.22 0.01 86.77 0.25 0.35 13.28 84.79 1.31 0.01 0.00 0.00 80 Y C T 160.89 2.04 14.91 17.20 97.47 44.33 -95.64 -5.73 55.68 0.08 44.24 1.27 2.77 50.84 43.48 1.54 0.02 0.02 0.07 81 S C S 44.90 5.28 10.21 17.74 122.43 90.84 -88.07 157.65 95.55 0.96 3.49 12.41 80.95 1.70 3.56 0.24 0.00 0.16 0.98 82 K H H 157.87 1.12 13.75 14.61 91.89 -111.09 -60.06 -37.27 13.59 0.05 86.35 1.24 2.65 9.83 83.85 2.32 0.06 0.02 0.04 83 A H H 66.50 1.94 14.93 16.74 91.42 51.74 -64.71 -39.32 11.98 0.03 87.99 0.81 1.01 9.93 85.15 3.02 0.04 0.01 0.02 84 G H H 14.86 8.86 11.13 22.29 91.94 50.35 -64.41 -40.26 7.19 0.04 92.77 1.17 0.76 5.03 89.58 3.40 0.02 0.02 0.02 85 R H H 123.83 3.55 14.68 19.36 91.79 51.95 -63.30 -41.20 1.78 0.01 98.21 0.55 0.22 0.89 97.30 1.02 0.00 0.00 0.00 86 E H H 109.59 1.35 16.55 16.56 91.69 50.35 -64.32 -41.05 1.26 0.01 98.73 0.29 0.11 0.72 98.19 0.68 0.00 0.00 0.00 87 E H H 91.01 3.08 14.54 18.50 91.92 49.97 -64.55 -40.57 1.48 0.01 98.51 0.32 0.12 0.87 97.99 0.70 0.00 0.01 0.00 88 L H H 64.89 5.97 11.56 19.43 92.12 51.01 -64.89 -40.31 1.94 0.01 98.05 0.45 0.18 1.15 97.23 0.98 0.00 0.00 0.00 89 E H H 117.26 1.61 13.07 14.81 91.69 51.92 -64.99 -38.41 4.41 0.02 95.58 0.68 0.33 3.15 94.32 1.50 0.00 0.01 0.01 90 R H H 161.04 1.15 12.47 13.40 92.70 51.53 -67.88 -34.61 10.85 0.04 89.11 1.60 0.89 8.02 87.11 2.34 0.01 0.02 0.02 91 V H H 92.44 3.42 9.86 14.73 95.33 51.19 -73.74 -26.62 25.91 0.15 73.94 4.65 2.83 18.38 71.62 2.33 0.03 0.05 0.10 92 N C H 119.31 1.88 10.11 13.11 99.09 50.69 -85.00 5.61 60.63 0.22 39.15 21.79 1.34 35.08 39.72 1.85 0.00 0.08 0.15 93 V C C 97.39 3.57 10.35 15.55 106.38 94.26 -83.19 72.20 99.88 0.03 0.10 99.70 0.10 0.11 0.07 0.00 0.00 0.01 0.01