# 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 47.66 12.01 15.58 27.84 117.16 -133.14 -84.16 144.82 99.90 0.09 0.01 99.86 0.07 0.02 0.00 0.00 0.00 0.04 0.01 1 L C C 78.46 10.92 13.62 25.12 113.07 -111.94 -80.31 134.37 91.96 6.25 1.79 90.08 0.89 1.71 0.71 0.69 0.00 3.67 2.26 2 R C C 143.18 6.15 14.58 22.19 112.86 -156.19 -98.90 122.33 84.42 13.59 1.99 62.73 16.89 4.42 0.70 1.39 0.00 7.57 6.32 3 Y C C 80.51 12.35 12.53 25.56 122.30 -165.97 -116.49 130.81 84.71 13.92 1.38 56.63 26.20 2.48 0.54 0.88 0.00 9.17 4.11 4 P C C 75.78 7.35 18.11 26.13 102.89 -129.10 -70.89 39.93 83.26 12.56 4.18 55.67 20.11 7.71 1.48 2.73 0.00 9.61 2.67 5 M C C 65.60 12.66 15.30 28.28 123.72 115.60 -117.15 143.39 67.56 25.71 6.73 47.91 12.49 6.04 3.45 3.67 0.10 15.76 10.58 6 A C C 35.09 13.30 15.10 29.07 115.52 -130.91 -88.25 132.49 65.37 28.36 6.27 51.17 8.47 4.47 3.33 3.32 0.03 20.62 8.59 7 V C C 67.03 9.95 15.58 26.52 121.67 -168.73 -115.74 136.76 63.04 29.50 7.46 37.02 17.02 10.37 3.51 4.23 0.21 18.57 9.08 8 G C C 34.24 7.66 15.73 24.18 123.25 22.30 112.91 -164.85 78.56 13.61 7.83 34.16 28.13 17.51 2.04 5.63 0.03 8.76 3.74 9 L C T 109.49 5.96 13.89 20.94 96.64 -48.41 -74.23 -20.22 81.67 4.72 13.61 16.76 28.98 36.66 2.49 10.52 0.03 2.71 1.85 10 N C T 92.63 5.83 12.33 19.50 103.74 62.44 -94.58 38.11 79.39 6.83 13.78 20.56 24.01 35.26 2.18 11.47 0.03 3.73 2.76 11 K C T 138.38 4.70 11.55 18.18 107.01 -143.54 -67.85 113.20 81.06 6.84 12.09 15.05 18.73 47.12 2.16 10.14 0.04 4.16 2.59 12 G C T 54.96 3.13 13.98 18.17 98.26 13.53 82.41 -0.40 86.13 7.93 5.95 19.03 22.74 45.02 1.00 4.89 0.01 5.69 1.62 13 H C C 89.86 8.27 10.96 20.72 117.45 122.36 -90.49 138.72 77.53 19.20 3.27 54.47 18.47 4.45 1.25 2.24 0.01 13.39 5.72 14 K C C 134.67 3.71 15.74 20.84 113.09 -115.84 -75.68 137.70 63.91 34.05 2.05 54.40 5.92 1.80 1.22 1.01 0.01 20.54 15.10 15 V C C 73.27 11.68 11.04 22.96 114.05 -140.29 -91.65 133.18 76.86 21.36 1.77 65.47 8.57 1.93 1.04 0.91 0.00 14.89 7.18 16 T C C 54.21 8.77 11.90 22.13 122.43 -151.98 -106.63 152.60 83.13 14.86 2.01 71.69 8.38 2.30 1.13 1.01 0.00 9.48 6.01 17 K C S 160.48 1.88 13.99 16.76 95.98 -127.61 -73.64 -20.49 92.04 4.10 3.87 21.84 44.11 26.77 1.41 2.06 0.01 2.70 1.10 18 N C C 90.40 4.86 11.80 18.19 106.07 59.25 -96.28 88.22 92.31 4.19 3.49 39.61 26.63 26.67 1.01 2.27 0.00 2.44 1.37 19 V C C 80.19 9.59 9.30 19.48 99.77 166.97 -81.90 -3.35 89.99 4.91 5.10 45.37 20.50 24.43 1.82 3.26 0.00 2.94 1.69 20 S C C 82.68 2.56 13.15 16.73 96.45 73.44 -83.26 -11.20 91.80 4.57 3.63 37.24 32.43 22.39 1.21 2.47 0.00 2.88 1.36 21 K C S 131.13 2.78 14.47 18.39 121.12 64.74 -102.46 141.70 94.46 3.87 1.67 40.22 53.05 1.63 1.16 0.54 0.00 2.12 1.28 22 P C C 69.67 9.64 11.64 22.43 114.92 -106.10 -65.09 147.08 92.34 5.61 2.05 84.88 5.45 1.58 1.19 0.80 0.00 2.96 3.14 23 R C C 84.91 10.35 11.87 23.42 115.54 -118.53 -79.65 144.69 91.69 3.76 4.54 83.70 5.86 1.75 2.64 1.64 0.00 1.34 3.07 24 H H G 118.97 4.81 15.07 21.15 95.23 -114.70 -63.30 -31.82 40.53 1.38 58.09 14.71 8.05 18.19 15.91 41.74 0.02 0.74 0.64 25 S H G 49.67 9.45 12.67 23.23 93.78 61.52 -71.61 -19.34 34.82 0.78 64.40 8.54 6.12 19.55 17.55 47.43 0.02 0.43 0.35 26 R H G 117.08 8.53 13.92 23.44 97.05 63.29 -84.25 -7.60 33.21 1.06 65.74 11.06 6.87 15.43 19.42 46.17 0.02 0.57 0.46 27 R C C 118.12 8.18 13.33 22.62 103.71 71.99 -90.66 15.71 54.64 2.46 42.90 24.85 11.87 18.32 17.88 24.38 0.06 1.13 1.51 28 R C T 142.69 5.27 13.67 20.51 109.69 115.07 -88.21 121.88 76.53 3.34 20.13 27.56 18.18 31.71 10.61 8.43 0.05 1.48 1.98 29 G C C 40.44 6.77 13.75 21.63 117.25 -7.89 90.41 0.38 87.33 2.15 10.53 30.56 27.08 30.42 3.56 6.25 0.01 1.07 1.07 30 R C C 150.30 4.06 15.26 20.60 116.38 -67.75 -91.52 135.07 88.51 4.68 6.81 69.37 12.34 6.31 3.01 3.76 0.00 2.25 2.96 31 L C C 76.13 12.37 10.68 23.25 111.83 -117.67 -78.86 128.52 90.63 5.49 3.88 78.71 8.71 2.69 2.25 1.55 0.00 2.40 3.68 32 T C C 59.34 6.70 12.83 21.06 123.21 -141.21 -97.54 161.22 93.04 3.82 3.13 81.51 9.11 1.98 2.26 0.89 0.00 1.39 2.86 33 K C T 158.77 1.90 13.90 16.52 92.62 -103.97 -63.52 -28.56 61.65 0.55 37.80 6.70 15.55 39.22 27.67 10.11 0.09 0.24 0.42 34 H C T 118.72 4.71 13.21 18.93 96.95 56.03 -82.69 -13.49 63.52 0.72 35.76 9.34 12.71 41.02 27.19 8.87 0.07 0.33 0.48 35 T C H 39.54 11.99 10.86 23.42 99.52 60.48 -84.25 -5.32 51.46 1.56 46.97 34.79 7.65 9.81 39.21 7.02 0.01 0.66 0.85 36 K H H 119.19 4.59 15.20 21.18 93.39 84.14 -62.94 -39.01 10.94 0.25 88.82 5.85 1.87 3.57 86.91 1.60 0.01 0.12 0.09 37 F H H 123.01 2.50 17.86 20.16 92.44 51.80 -65.60 -40.88 5.18 0.14 94.68 2.00 0.77 2.53 93.05 1.51 0.01 0.08 0.03 38 V H H 41.48 11.65 16.25 28.69 92.48 48.81 -65.85 -41.56 2.13 0.06 97.81 0.78 0.32 1.10 96.53 1.21 0.00 0.04 0.01 39 R H H 70.12 14.23 16.11 30.25 91.94 51.59 -63.52 -41.21 1.67 0.03 98.30 0.45 0.23 1.00 97.31 0.99 0.00 0.02 0.00 40 D H H 72.69 4.01 20.13 24.39 91.91 50.81 -64.89 -39.98 3.43 0.04 96.53 0.61 0.33 2.48 95.50 1.03 0.01 0.02 0.01 41 M H H 73.93 6.48 19.58 26.79 92.39 50.59 -65.70 -41.42 6.67 0.07 93.26 0.79 0.74 5.32 91.99 1.07 0.04 0.03 0.03 42 I H H 23.79 17.23 15.41 32.95 92.79 49.75 -65.75 -41.76 8.45 0.17 91.38 1.44 1.44 5.93 89.95 1.03 0.06 0.07 0.07 43 R H H 102.30 10.95 17.21 28.31 92.30 52.36 -64.47 -40.14 7.76 0.15 92.09 1.69 1.05 5.23 89.64 2.21 0.05 0.08 0.05 44 E H H 121.34 3.16 19.42 22.85 93.97 47.57 -70.60 -35.68 9.44 0.16 90.40 1.14 1.06 7.67 87.39 2.49 0.11 0.08 0.06 45 V H H 64.93 9.50 17.70 27.58 100.88 37.06 -88.59 -37.93 18.34 0.18 81.48 1.10 2.10 15.77 78.52 2.08 0.25 0.06 0.11 46 C H H 38.56 13.85 15.74 29.72 102.72 23.58 -103.24 -13.64 36.52 0.45 63.03 3.24 8.17 25.78 60.57 1.59 0.20 0.13 0.32 47 G C S 33.97 7.18 19.10 27.16 100.54 -118.20 80.08 3.44 95.54 0.88 3.58 35.79 37.17 22.75 1.97 1.47 0.00 0.37 0.49 48 F C C 65.53 13.95 15.97 29.97 116.99 94.90 -100.67 131.84 91.69 2.44 5.87 62.36 22.09 6.78 4.14 1.74 0.00 0.86 2.04 49 A C C 27.59 11.80 17.43 30.32 116.13 -134.48 -75.11 154.55 71.33 0.37 28.30 55.65 10.34 3.15 29.54 0.99 0.00 0.11 0.22 50 P H H 61.77 8.69 19.63 29.17 93.10 -107.04 -60.79 -36.44 13.31 0.09 86.59 3.82 2.36 7.33 84.51 1.87 0.02 0.04 0.05 51 Y H H 72.32 14.11 19.58 33.29 92.84 52.15 -65.76 -38.99 7.19 0.06 92.74 1.76 0.99 4.52 90.71 1.95 0.02 0.03 0.03 52 E H H 51.06 15.74 18.97 34.13 92.93 50.23 -65.94 -40.15 2.89 0.02 97.08 0.96 0.36 1.48 95.87 1.30 0.00 0.01 0.01 53 R H H 107.92 7.79 22.48 30.56 91.98 50.98 -65.09 -41.63 1.14 0.01 98.86 0.32 0.12 0.57 98.47 0.51 0.00 0.00 0.00 54 R H H 92.71 9.07 22.98 32.14 92.10 49.86 -65.06 -40.85 1.13 0.01 98.86 0.23 0.09 0.68 98.49 0.51 0.00 0.00 0.00 55 A H H 8.51 19.73 18.24 38.13 92.18 51.06 -64.52 -41.59 1.21 0.01 98.78 0.18 0.07 0.78 98.47 0.49 0.00 0.00 0.00 56 M H H 52.91 11.97 21.38 33.68 91.60 51.85 -63.06 -41.45 0.76 0.00 99.24 0.10 0.05 0.50 98.78 0.57 0.00 0.00 0.00 57 E H H 83.45 4.67 23.43 28.10 91.47 51.16 -64.23 -41.11 1.14 0.00 98.86 0.10 0.06 0.86 97.92 1.06 0.00 0.00 0.00 58 L H H 29.53 13.87 18.08 32.84 91.62 51.11 -64.73 -40.39 1.43 0.00 98.57 0.10 0.08 1.12 96.59 2.11 0.00 0.00 0.00 59 L H H 30.87 16.76 15.01 31.85 91.56 53.00 -65.54 -35.74 4.32 0.01 95.67 0.32 0.28 3.55 92.14 3.68 0.01 0.00 0.00 60 K H H 135.20 3.16 19.42 23.19 92.56 51.67 -70.54 -31.41 17.33 0.03 82.63 0.67 0.91 15.88 79.91 2.58 0.03 0.01 0.02 61 V H H 85.36 4.74 16.61 21.95 99.81 37.08 -97.03 -20.72 35.20 0.20 64.60 2.62 5.48 27.06 62.69 1.85 0.09 0.06 0.16 62 S C C 32.86 14.59 9.58 23.85 122.11 74.61 -102.28 149.84 89.31 0.77 9.92 52.92 16.13 19.86 8.38 1.80 0.00 0.26 0.65 63 K C S 170.00 1.19 16.94 17.60 95.59 -145.75 -72.86 -1.69 97.04 0.46 2.50 37.60 40.96 18.67 1.15 1.13 0.00 0.19 0.30 64 D C C 53.17 10.42 11.22 23.15 108.26 115.20 -84.57 110.82 96.72 0.65 2.63 80.65 13.50 2.48 1.89 0.71 0.00 0.20 0.57 65 K H H 135.72 4.20 15.47 21.74 93.74 -168.66 -66.33 -30.22 10.40 0.06 89.54 4.09 2.34 3.69 88.91 0.91 0.00 0.02 0.03 66 R H H 129.55 3.42 19.48 22.94 91.70 58.64 -64.78 -40.13 2.81 0.01 97.18 0.59 0.35 1.70 96.53 0.82 0.01 0.00 0.01 67 A H H 11.36 15.63 15.46 32.30 91.93 50.35 -63.95 -42.31 1.14 0.01 98.85 0.33 0.11 0.61 97.95 0.99 0.00 0.00 0.00 68 L H H 26.83 15.82 16.12 32.40 91.62 51.46 -63.22 -41.75 0.49 0.00 99.51 0.12 0.04 0.24 99.05 0.54 0.00 0.00 0.00 69 K H H 111.70 2.60 23.18 24.83 91.66 50.68 -64.13 -41.76 0.50 0.00 99.49 0.09 0.04 0.30 99.30 0.27 0.00 0.00 0.00 70 F H H 64.81 7.30 20.39 28.65 91.73 49.67 -64.37 -42.70 0.86 0.00 99.13 0.10 0.05 0.61 98.90 0.33 0.00 0.00 0.00 71 I H H 10.47 19.87 13.99 34.38 91.56 49.54 -64.14 -42.44 1.39 0.01 98.60 0.16 0.13 0.95 98.54 0.21 0.00 0.00 0.00 72 K H H 87.35 10.39 15.90 26.89 91.76 51.92 -63.68 -39.08 1.83 0.01 98.17 0.21 0.15 1.23 98.09 0.31 0.00 0.00 0.00 73 K H H 152.87 1.14 18.83 18.59 92.31 50.59 -67.41 -36.51 3.44 0.01 96.55 0.17 0.18 2.97 96.12 0.55 0.01 0.00 0.00 74 R H H 122.84 6.11 16.56 23.50 99.14 37.44 -85.56 -36.49 7.36 0.01 92.62 0.19 0.42 6.79 92.06 0.50 0.02 0.00 0.01 75 V H H 45.79 12.46 12.16 25.15 104.05 26.33 -105.43 -17.45 17.40 0.09 82.51 1.39 3.45 11.81 82.84 0.38 0.04 0.02 0.07 76 G C C 47.22 2.74 17.06 20.28 102.66 -127.38 79.85 -8.32 98.96 0.32 0.73 49.62 42.91 6.52 0.36 0.28 0.00 0.11 0.21 77 T C S 62.09 3.53 17.35 21.38 132.26 25.14 -135.52 162.58 96.88 1.20 1.92 47.13 47.94 1.66 1.62 0.31 0.00 0.25 1.08 78 H H H 105.34 9.29 13.07 23.39 92.34 -111.30 -62.04 -36.08 10.34 0.07 89.58 2.41 5.19 3.17 88.66 0.50 0.01 0.01 0.04 79 I H H 112.51 1.63 19.09 19.52 91.90 53.25 -63.72 -42.45 2.46 0.00 97.54 0.31 0.33 1.56 97.40 0.39 0.00 0.00 0.00 80 R H H 94.63 5.40 18.42 24.77 91.90 47.32 -65.63 -39.99 0.95 0.00 99.05 0.19 0.09 0.56 98.71 0.45 0.00 0.00 0.00 81 A H H 7.07 17.55 12.34 30.97 91.01 52.29 -62.56 -42.84 0.37 0.00 99.63 0.07 0.03 0.19 99.53 0.18 0.00 0.00 0.00 82 K H H 104.49 4.65 20.66 25.70 91.53 50.56 -63.92 -41.24 0.29 0.00 99.71 0.05 0.02 0.15 99.71 0.07 0.00 0.00 0.00 83 R H H 130.37 1.99 21.99 22.43 91.62 49.57 -64.49 -41.69 0.22 0.00 99.78 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 84 K H H 61.31 12.36 17.90 30.65 92.41 49.48 -65.55 -40.61 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 85 R H H 82.42 13.89 17.41 31.01 91.65 52.04 -63.17 -41.51 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 86 E H H 111.50 2.04 22.44 22.97 91.59 49.90 -63.97 -41.70 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 87 E H H 93.48 4.41 21.57 26.06 91.71 49.21 -64.95 -41.38 0.25 0.00 99.75 0.02 0.01 0.17 99.77 0.04 0.00 0.00 0.00 88 L H H 24.84 16.40 16.37 33.29 91.85 49.72 -64.43 -41.32 0.45 0.00 99.55 0.04 0.02 0.29 99.58 0.07 0.00 0.00 0.00 89 S H H 48.57 7.06 20.19 28.01 91.55 51.76 -63.46 -40.46 0.63 0.00 99.37 0.06 0.02 0.41 99.44 0.07 0.00 0.00 0.00 90 S H H 63.44 2.68 22.14 23.74 92.04 50.06 -65.67 -40.36 0.49 0.00 99.51 0.06 0.02 0.30 99.58 0.04 0.00 0.00 0.00 91 V H H 45.83 9.54 19.09 29.68 92.11 50.05 -64.70 -42.83 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 92 L H H 48.62 10.46 18.31 29.79 91.60 49.21 -63.98 -41.67 0.08 0.00 99.92 0.01 0.00 0.04 99.92 0.02 0.00 0.00 0.00 93 A H H 50.85 3.45 19.93 23.45 91.54 50.64 -63.39 -41.68 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 94 A H H 47.26 4.22 18.15 23.18 91.80 50.42 -64.28 -41.25 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 95 M H H 72.97 8.29 16.20 25.68 92.22 50.15 -65.09 -41.01 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 96 R H H 127.83 3.65 16.55 21.02 91.74 50.40 -64.26 -40.88 0.31 0.00 99.69 0.03 0.01 0.20 99.71 0.05 0.00 0.00 0.00 97 K H H 126.10 1.64 16.20 17.25 92.07 49.86 -65.03 -40.12 0.85 0.00 99.15 0.10 0.05 0.56 99.15 0.15 0.00 0.00 0.00 98 A H H 53.51 3.99 12.83 18.37 92.20 50.74 -65.87 -38.90 2.92 0.00 97.08 0.26 0.19 2.13 97.00 0.42 0.00 0.00 0.00 99 A H H 67.14 3.76 11.35 16.64 92.94 52.54 -68.83 -30.43 13.18 0.02 86.80 0.99 0.88 10.42 87.02 0.65 0.01 0.01 0.01 100 A H H 81.81 1.75 10.32 13.01 95.75 56.78 -77.16 -16.00 45.05 0.14 54.81 13.25 1.34 27.80 56.57 0.91 0.00 0.04 0.10 101 K C C 149.06 2.29 11.59 15.18 103.34 76.32 -78.75 20.97 99.87 0.03 0.10 99.41 0.19 0.29 0.09 0.01 0.00 0.01 0.01