# 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 106.27 7.06 13.64 21.89 118.21 -154.14 -97.70 138.86 99.83 0.14 0.02 99.78 0.08 0.03 0.01 0.00 0.00 0.06 0.02 1 A C C 64.10 7.01 11.50 19.96 115.23 -116.14 -76.78 142.45 92.31 6.33 1.36 91.50 0.78 1.09 0.52 0.43 0.00 3.44 2.24 2 L C C 93.56 7.75 11.23 20.38 112.82 -111.81 -78.91 136.25 86.68 10.65 2.67 70.46 10.80 4.84 0.79 1.99 0.00 7.20 3.90 3 R C C 150.23 5.26 13.09 20.07 111.75 -153.36 -98.21 116.63 84.50 13.24 2.26 60.94 18.28 4.84 0.69 1.77 0.00 7.57 5.90 4 Y C C 93.55 9.93 11.65 22.78 123.09 41.15 -117.01 138.53 86.65 12.19 1.16 58.07 26.96 2.18 0.49 0.71 0.00 7.30 4.28 5 P C C 85.53 5.77 16.48 23.15 103.76 -119.39 -70.47 89.17 87.33 9.24 3.43 53.32 25.32 9.15 1.18 2.26 0.00 6.48 2.29 6 M C C 76.29 10.83 13.35 24.92 124.83 115.89 -115.15 143.14 73.51 20.39 6.10 50.78 14.87 7.04 2.84 3.48 0.07 11.55 9.37 7 A C C 44.19 10.77 13.55 25.44 114.23 -122.59 -86.73 132.05 71.95 22.40 5.65 56.50 9.12 5.05 2.74 3.20 0.02 15.10 8.27 8 V C C 77.31 8.36 13.86 23.46 120.13 -168.46 -113.54 137.57 67.67 24.34 7.99 34.72 19.93 14.56 3.32 4.68 0.19 14.05 8.55 9 G C S 39.34 5.91 14.84 21.79 121.86 19.85 97.91 -164.73 78.83 11.39 9.78 27.65 29.52 22.92 2.14 7.10 0.06 6.89 3.73 10 L C T 113.79 4.86 13.18 19.28 96.52 -36.81 -74.22 -20.46 80.52 4.56 14.92 14.43 26.13 40.63 2.63 11.59 0.05 2.55 1.99 11 N C T 94.31 5.64 11.57 18.61 103.43 55.32 -94.88 29.73 77.79 7.23 14.98 19.50 21.66 37.12 2.44 12.29 0.05 3.96 2.99 12 K C T 136.52 4.66 11.21 17.88 108.55 137.54 -66.37 117.96 80.81 7.46 11.73 13.88 16.32 50.41 2.39 9.50 0.04 4.51 2.96 13 G C T 55.36 2.99 13.84 17.85 98.43 13.83 82.62 -0.39 85.77 7.93 6.29 17.24 20.24 48.89 1.23 5.03 0.01 5.79 1.57 14 H C C 90.95 8.14 10.73 20.40 117.04 122.63 -88.92 138.85 77.82 18.52 3.66 55.44 17.51 4.55 1.54 2.36 0.01 12.54 6.05 15 K C C 135.74 3.74 15.31 20.42 112.71 -119.55 -78.00 134.47 66.12 31.56 2.32 55.78 6.32 2.05 1.45 1.10 0.01 18.43 14.86 16 V C C 73.29 11.15 10.72 22.31 115.05 -145.47 -96.11 132.91 78.98 18.93 2.09 66.71 9.28 2.13 1.33 0.99 0.00 12.80 6.77 17 T C C 56.52 8.60 11.59 21.63 121.26 -143.24 -100.12 149.70 84.66 12.99 2.35 73.50 8.01 2.44 1.42 1.06 0.00 8.19 5.38 18 K C S 158.09 2.02 13.58 16.65 96.28 -128.59 -75.62 -20.03 92.05 3.61 4.34 26.80 42.01 23.87 1.78 2.20 0.01 2.23 1.10 19 N C C 92.12 4.66 11.19 17.41 106.97 60.17 -96.88 93.22 92.82 3.37 3.81 41.44 27.31 24.52 1.23 2.37 0.00 1.83 1.29 20 V C C 86.22 8.26 9.02 18.12 100.57 160.28 -83.10 -3.09 91.34 3.64 5.02 48.51 21.19 21.85 1.92 3.07 0.00 2.04 1.43 21 S C C 84.74 2.18 12.32 15.49 97.23 73.30 -82.14 -12.17 93.33 3.27 3.40 41.32 32.77 19.41 1.20 2.24 0.00 1.89 1.18 22 K C S 134.68 2.51 13.33 16.99 120.38 60.94 -104.64 140.33 95.57 2.98 1.46 42.37 52.06 1.49 1.03 0.46 0.00 1.48 1.11 23 P C C 76.04 8.02 11.06 20.59 114.68 -106.48 -65.10 146.47 93.60 3.91 2.49 85.51 5.92 1.94 1.41 0.98 0.00 2.01 2.23 24 R C C 98.90 8.98 11.13 21.47 115.54 -120.12 -80.72 143.89 90.87 3.68 5.45 81.56 6.62 2.30 3.11 2.09 0.00 1.35 2.96 25 H C G 121.75 4.36 14.02 19.69 95.96 -116.16 -65.73 -25.71 49.48 1.97 48.55 21.50 10.54 17.99 14.15 33.82 0.03 1.01 0.97 26 S H G 52.92 8.50 11.66 21.45 97.26 63.30 -72.72 -17.14 42.52 1.12 56.36 14.25 8.46 19.67 15.66 40.81 0.02 0.59 0.54 27 R H G 130.54 6.70 13.26 21.20 96.95 65.62 -79.49 -6.69 39.98 1.34 58.68 15.53 8.37 16.28 17.78 40.70 0.02 0.69 0.62 28 R C G 125.79 7.02 12.34 20.71 103.79 73.67 -89.52 27.39 54.50 2.52 42.99 25.49 11.75 17.60 16.64 25.86 0.05 1.18 1.44 29 R C T 148.38 4.50 12.64 18.82 110.94 115.20 -87.27 119.46 74.09 3.07 22.84 25.56 17.82 31.56 11.31 10.48 0.06 1.39 1.83 30 G C T 43.31 5.69 13.33 20.24 115.51 -10.20 90.39 -40.22 85.80 2.04 12.16 29.35 26.33 30.87 4.13 7.25 0.01 1.02 1.04 31 R C C 151.58 3.94 14.39 19.71 116.27 -60.28 -89.61 135.05 87.93 4.61 7.46 68.33 12.59 6.50 3.28 4.19 0.00 2.24 2.88 32 L C C 79.68 11.45 10.50 22.38 111.81 -116.43 -79.49 131.13 90.73 5.26 4.01 78.41 9.21 2.59 2.39 1.54 0.00 2.32 3.54 33 T C C 61.00 6.52 12.57 20.65 120.82 -138.90 -94.27 159.53 93.22 3.36 3.42 82.65 8.19 2.04 2.45 0.97 0.00 1.34 2.36 34 K C T 159.14 1.86 13.77 16.38 93.17 -105.05 -64.08 -27.57 63.21 0.60 36.19 7.81 16.04 39.19 25.77 10.41 0.07 0.26 0.45 35 H C T 118.20 4.76 12.93 18.78 98.48 57.21 -82.09 -11.34 64.65 0.80 34.55 10.59 13.16 40.63 25.54 9.13 0.06 0.37 0.52 36 T C H 41.56 11.26 10.94 23.02 100.89 63.04 -82.41 -7.91 52.94 1.47 45.59 37.90 7.45 8.17 38.38 6.68 0.01 0.61 0.81 37 K H H 119.57 4.53 15.01 20.91 93.57 79.28 -63.69 -38.91 10.01 0.19 89.80 5.29 1.72 3.25 88.13 1.45 0.00 0.08 0.07 38 F H H 124.11 2.35 17.61 19.72 92.45 51.75 -65.49 -40.90 4.46 0.10 95.45 1.65 0.64 2.20 94.04 1.37 0.01 0.05 0.02 39 V H H 45.00 10.75 16.18 27.85 92.50 48.72 -65.92 -41.56 1.85 0.05 98.11 0.65 0.26 0.96 96.97 1.13 0.00 0.03 0.01 40 R H H 70.81 13.85 15.92 29.80 91.93 51.61 -63.53 -41.26 1.44 0.02 98.54 0.36 0.19 0.86 97.72 0.85 0.00 0.01 0.00 41 D H H 72.61 3.99 19.82 24.10 91.96 50.67 -64.88 -40.25 3.14 0.03 96.83 0.52 0.29 2.29 95.97 0.88 0.01 0.02 0.01 42 M H H 76.09 5.92 19.49 26.11 92.33 50.55 -65.58 -41.49 6.19 0.05 93.76 0.67 0.68 4.98 92.66 0.94 0.03 0.02 0.02 43 I H H 26.03 16.39 15.30 32.16 92.69 50.05 -65.39 -42.17 7.01 0.11 92.88 1.13 1.15 4.99 91.72 0.87 0.05 0.04 0.05 44 R H H 100.86 11.01 16.81 28.01 92.30 52.12 -64.31 -39.89 5.91 0.09 93.99 1.21 0.76 4.05 92.11 1.76 0.03 0.05 0.03 45 E H H 124.50 2.79 19.11 22.12 93.62 48.44 -70.04 -36.28 7.14 0.09 92.77 0.81 0.75 5.87 90.34 2.09 0.07 0.05 0.04 46 V H H 68.77 8.59 17.51 26.54 100.77 37.31 -87.67 -38.38 14.32 0.11 85.57 0.76 1.49 12.57 83.18 1.72 0.17 0.04 0.07 47 C H H 40.17 13.34 15.48 29.03 102.50 24.87 -103.22 -13.97 32.14 0.34 67.52 2.65 6.79 23.30 65.29 1.45 0.18 0.10 0.24 48 G C S 33.56 7.08 18.73 26.79 102.49 -120.07 80.07 2.16 95.92 0.85 3.23 35.35 37.42 23.31 1.72 1.38 0.00 0.36 0.47 49 F C C 70.07 13.57 16.10 29.66 114.21 77.05 -99.44 124.71 92.19 2.72 5.09 61.49 22.89 7.36 3.30 1.72 0.00 0.95 2.29 50 A C C 26.87 11.99 16.94 30.04 116.33 -138.73 -76.85 154.54 73.86 0.41 25.72 56.22 12.59 3.20 26.58 1.02 0.00 0.12 0.26 51 P H H 64.12 8.21 19.49 28.56 93.11 -107.08 -60.60 -36.33 13.44 0.08 86.48 3.28 2.35 8.04 84.18 2.05 0.03 0.03 0.05 52 Y H H 76.12 13.40 19.38 32.51 92.70 52.18 -66.07 -38.51 7.88 0.06 92.05 1.67 1.05 5.24 89.73 2.22 0.02 0.03 0.03 53 E H H 50.25 15.68 18.52 33.69 93.00 50.31 -66.02 -40.13 3.21 0.03 96.76 1.04 0.41 1.68 95.28 1.56 0.00 0.02 0.01 54 R H H 108.58 7.59 22.10 30.00 92.08 50.79 -65.20 -41.61 1.25 0.01 98.74 0.34 0.13 0.64 98.27 0.61 0.00 0.00 0.00 55 R H H 96.32 8.34 22.78 31.28 92.11 49.56 -65.58 -40.76 1.32 0.01 98.68 0.24 0.11 0.82 98.18 0.64 0.00 0.00 0.00 56 A H H 9.37 19.11 17.92 37.29 92.27 50.97 -64.77 -41.59 1.49 0.01 98.51 0.21 0.09 0.98 98.10 0.61 0.00 0.00 0.00 57 M H H 54.43 11.77 20.91 33.04 91.61 51.91 -63.03 -41.46 0.86 0.00 99.14 0.12 0.06 0.56 98.58 0.68 0.00 0.00 0.00 58 E H H 86.01 4.35 23.08 27.33 91.53 51.16 -64.28 -41.13 1.18 0.00 98.82 0.11 0.07 0.88 97.74 1.20 0.00 0.00 0.00 59 L H H 34.15 12.89 17.98 31.83 91.70 51.02 -64.91 -40.43 1.48 0.00 98.52 0.10 0.08 1.16 96.35 2.31 0.00 0.00 0.00 60 L H H 31.38 16.54 14.71 31.41 91.55 52.97 -65.66 -35.62 4.45 0.01 95.54 0.35 0.30 3.61 91.79 3.93 0.01 0.00 0.00 61 K H H 134.99 3.22 19.05 22.95 92.47 52.33 -70.69 -31.35 18.84 0.03 81.12 0.77 1.00 17.12 78.24 2.80 0.03 0.01 0.02 62 V H H 88.03 4.28 16.54 21.35 99.70 38.08 -96.16 -20.11 37.21 0.23 62.56 2.98 5.91 28.31 60.42 2.04 0.09 0.07 0.18 63 S C C 33.00 14.50 9.23 23.41 119.88 77.79 -98.83 148.47 87.71 0.83 11.46 51.53 16.27 19.42 9.79 2.01 0.00 0.28 0.70 64 K C S 170.31 1.16 16.69 17.26 95.47 -149.11 -75.85 -1.94 96.18 0.52 3.29 38.00 38.94 19.44 1.66 1.39 0.00 0.21 0.35 65 D C C 54.43 10.15 11.11 22.80 108.18 114.85 -84.35 110.31 96.06 0.64 3.29 80.50 12.49 2.99 2.40 0.87 0.00 0.21 0.55 66 K H H 135.60 4.16 15.17 21.39 93.83 -169.20 -66.16 -30.87 10.39 0.06 89.55 4.29 2.25 3.62 88.84 0.94 0.00 0.02 0.03 67 R H H 131.84 3.22 19.11 22.32 91.74 58.24 -64.80 -39.81 2.90 0.01 97.09 0.63 0.36 1.76 96.35 0.88 0.01 0.01 0.01 68 A H H 13.04 14.92 15.39 31.57 91.95 50.36 -64.05 -42.26 1.27 0.01 98.72 0.38 0.13 0.67 97.77 1.04 0.00 0.01 0.00 69 L H H 28.35 15.46 15.83 31.81 91.70 51.57 -63.22 -41.64 0.53 0.00 99.46 0.14 0.05 0.26 98.97 0.57 0.00 0.00 0.00 70 K H H 111.54 2.65 22.74 24.55 91.66 50.75 -64.11 -41.79 0.54 0.00 99.46 0.10 0.04 0.32 99.25 0.29 0.00 0.00 0.00 71 F H H 67.63 6.97 20.27 28.13 91.73 49.81 -64.34 -42.63 0.87 0.01 99.13 0.11 0.06 0.60 98.87 0.36 0.00 0.00 0.00 72 I H H 11.78 19.28 14.10 33.94 91.61 49.54 -64.14 -42.38 1.25 0.01 98.74 0.17 0.12 0.83 98.66 0.23 0.00 0.00 0.00 73 K H H 86.41 10.54 15.85 26.99 91.78 52.08 -63.69 -38.61 1.65 0.01 98.34 0.21 0.13 1.09 98.22 0.35 0.00 0.00 0.00 74 K H H 151.36 1.24 18.85 18.89 92.21 50.60 -67.16 -35.85 3.27 0.01 96.72 0.18 0.17 2.78 96.24 0.62 0.01 0.00 0.00 75 R H H 123.14 6.16 16.60 23.54 99.07 39.23 -84.45 -35.92 7.21 0.01 92.77 0.21 0.42 6.57 92.21 0.55 0.02 0.00 0.01 76 V H H 45.74 12.62 12.17 25.24 103.89 28.22 -104.07 -16.78 18.15 0.11 81.74 1.69 3.64 12.09 82.00 0.43 0.05 0.03 0.08 77 G C C 46.46 2.88 16.99 20.44 103.86 -127.87 79.69 -12.20 98.84 0.36 0.79 50.24 41.69 7.01 0.40 0.30 0.00 0.13 0.24 78 T C S 62.65 3.51 17.30 21.26 131.26 19.92 -134.60 163.58 96.75 1.33 1.92 46.64 48.34 1.60 1.65 0.30 0.00 0.27 1.19 79 H H H 107.44 8.79 13.03 22.95 92.30 -110.38 -61.64 -36.29 9.11 0.06 90.84 2.02 4.41 2.98 90.04 0.48 0.01 0.01 0.03 80 I H H 112.81 1.62 18.75 19.21 91.91 52.90 -63.76 -42.35 2.33 0.00 97.67 0.29 0.29 1.50 97.53 0.39 0.00 0.00 0.00 81 R H H 95.62 5.38 18.11 24.47 92.00 47.37 -65.84 -39.77 0.91 0.00 99.09 0.17 0.09 0.54 98.76 0.43 0.00 0.00 0.00 82 A H H 8.02 16.77 12.34 30.30 91.11 52.37 -62.68 -42.73 0.37 0.00 99.63 0.07 0.03 0.19 99.54 0.17 0.00 0.00 0.00 83 K H H 105.42 4.29 20.59 25.18 91.55 50.53 -64.04 -41.14 0.29 0.00 99.71 0.05 0.02 0.15 99.72 0.07 0.00 0.00 0.00 84 R H H 129.75 2.05 21.70 22.32 91.65 49.66 -64.49 -41.65 0.22 0.00 99.78 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 85 K H H 62.37 12.18 17.66 30.29 92.36 49.62 -65.53 -40.60 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 86 R H H 86.47 12.88 17.56 30.36 91.73 52.09 -63.47 -41.29 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 87 E H H 109.84 2.01 22.23 22.66 91.62 49.85 -63.89 -41.71 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 88 E H H 90.43 4.58 21.05 25.87 91.76 49.29 -64.98 -41.48 0.24 0.00 99.76 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 89 L H H 27.68 15.48 16.18 32.37 91.86 49.78 -64.38 -41.03 0.43 0.00 99.57 0.04 0.02 0.28 99.58 0.08 0.00 0.00 0.00 90 S H H 50.12 6.13 19.98 26.89 91.59 51.89 -63.46 -40.36 0.77 0.00 99.23 0.07 0.03 0.52 99.29 0.09 0.00 0.00 0.00 91 N H H 94.30 2.42 21.85 23.16 92.09 49.80 -65.88 -40.24 0.72 0.00 99.28 0.08 0.04 0.46 99.36 0.06 0.00 0.00 0.00 92 V H H 47.12 9.49 18.68 29.22 92.10 50.13 -64.69 -42.87 0.18 0.00 99.82 0.03 0.01 0.10 99.83 0.03 0.00 0.00 0.00 93 L H H 53.55 9.45 18.32 28.88 91.79 49.37 -64.23 -41.73 0.10 0.00 99.90 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 94 A H H 51.03 3.25 19.92 23.10 91.52 50.39 -63.39 -41.88 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 95 A H H 46.24 4.50 18.27 23.68 91.92 50.53 -64.38 -41.53 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 96 M H H 75.11 8.50 16.83 26.36 92.17 50.13 -64.98 -40.85 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 97 R H H 130.24 3.42 17.78 21.84 91.66 50.56 -63.84 -41.05 0.25 0.00 99.74 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 98 K H H 120.75 1.81 18.09 18.95 91.94 49.58 -64.90 -41.18 0.51 0.00 99.49 0.06 0.03 0.31 99.52 0.08 0.00 0.00 0.00 99 A H H 41.42 4.32 14.54 20.61 91.71 50.28 -64.22 -41.02 1.07 0.00 98.93 0.14 0.07 0.67 98.92 0.20 0.00 0.00 0.00 100 A H H 45.86 4.59 12.91 19.35 91.95 51.13 -64.13 -39.66 3.46 0.01 96.53 0.42 0.26 2.37 96.48 0.47 0.00 0.00 0.00 101 A H H 69.32 1.99 12.43 14.96 92.51 51.97 -66.70 -35.96 12.64 0.04 87.32 1.73 1.15 9.07 86.98 1.03 0.01 0.01 0.02 102 K H H 151.91 1.14 11.25 12.58 94.11 53.06 -71.71 -27.14 33.11 0.27 66.62 7.38 4.55 21.33 64.98 1.48 0.03 0.09 0.16 103 K C H 143.88 2.28 9.04 12.70 99.28 57.61 -81.59 -6.55 60.34 0.34 39.33 30.14 2.04 25.69 40.47 1.33 0.00 0.11 0.21 104 D C C 114.24 2.20 11.32 14.81 103.60 84.41 -76.07 62.23 99.92 0.02 0.06 99.69 0.11 0.15 0.04 0.00 0.00 0.01 0.00