# 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 T C C 61.92 8.86 14.70 24.39 116.81 -158.18 -96.90 141.84 99.75 0.10 0.15 99.61 0.12 0.10 0.10 0.01 0.00 0.04 0.02 1 T C C 76.21 6.36 12.69 20.20 102.29 -137.32 -77.38 -12.08 68.00 1.77 30.23 61.51 1.57 5.13 27.68 2.48 0.00 0.91 0.72 2 R C C 132.81 5.28 12.06 18.76 97.60 70.62 -70.72 -29.63 54.44 2.78 42.77 37.96 8.78 8.45 37.44 4.86 0.02 1.54 0.95 3 R H H 123.53 6.64 12.17 20.13 97.07 58.55 -72.51 -30.84 45.75 3.33 50.92 31.99 7.71 7.47 42.76 6.99 0.03 2.06 1.00 4 R H H 128.44 5.84 13.29 20.44 96.54 59.73 -71.75 -31.32 40.66 3.23 56.11 27.06 7.74 7.75 46.00 8.45 0.04 2.04 0.93 5 K H H 112.31 6.06 14.18 21.36 97.87 58.11 -76.43 -24.69 43.58 3.64 52.78 28.25 7.54 9.58 43.16 7.99 0.05 2.29 1.13 6 L C H 79.74 9.16 13.59 23.63 100.74 54.43 -83.93 -11.32 51.27 3.37 45.36 28.88 10.90 13.33 37.09 6.63 0.08 1.79 1.30 7 L C C 80.95 9.41 13.70 23.89 104.45 65.43 -83.47 29.49 70.26 2.19 27.54 31.73 16.69 22.22 22.78 4.51 0.04 0.96 1.07 8 G C C 41.39 7.06 15.51 23.42 109.06 -52.55 52.05 -36.59 82.70 1.25 16.05 34.83 16.74 31.81 10.38 4.97 0.01 0.57 0.69 9 S C C 60.70 8.52 15.12 24.37 106.84 44.07 -86.03 65.06 77.40 2.59 20.00 36.80 21.67 19.55 13.16 6.29 0.03 1.18 1.32 10 R C C 124.77 8.28 17.68 26.34 103.35 67.36 -82.75 15.03 65.04 5.47 29.49 38.91 16.95 10.01 24.02 5.09 0.08 2.63 2.32 11 Y H H 69.21 13.83 18.12 31.69 101.24 92.02 -79.88 -26.02 37.88 2.60 59.52 22.69 8.28 9.29 54.03 3.31 0.06 1.46 0.89 12 G H H 12.27 17.42 17.63 34.28 98.59 55.02 -59.42 -44.82 24.70 0.70 74.60 14.17 4.39 7.62 70.14 3.02 0.02 0.38 0.24 13 A H H 40.78 9.15 19.55 29.42 94.64 47.32 -66.58 -38.45 10.70 0.43 88.86 6.08 1.87 3.84 84.65 3.14 0.02 0.27 0.12 14 R H H 113.47 4.56 21.99 26.46 93.07 51.14 -66.38 -39.16 6.32 0.38 93.30 3.01 1.18 2.91 89.47 3.05 0.04 0.25 0.09 15 L H H 20.31 14.87 15.65 31.56 92.64 51.64 -65.33 -41.12 4.68 0.22 95.11 1.94 0.80 2.33 91.27 3.44 0.03 0.13 0.05 16 A H H 28.13 13.99 13.84 28.34 92.52 53.26 -65.13 -37.14 7.01 0.18 92.81 2.01 0.90 4.09 89.04 3.74 0.06 0.11 0.06 17 K H H 145.76 1.95 17.50 19.54 92.73 50.16 -68.68 -35.13 14.44 0.13 85.43 1.76 1.56 10.93 82.52 3.03 0.07 0.06 0.07 18 K H H 133.98 2.65 15.73 18.87 96.78 40.30 -81.90 -30.86 25.23 0.14 74.63 1.94 4.74 18.67 72.73 1.71 0.08 0.04 0.10 19 N C C 60.15 9.52 12.56 23.29 113.11 16.27 -137.10 81.67 96.74 0.32 2.94 86.43 6.44 3.52 2.91 0.36 0.00 0.11 0.22 20 R H H 126.71 7.86 13.31 22.98 93.91 172.70 -62.37 -35.61 2.78 0.01 97.22 0.69 0.25 1.54 96.75 0.77 0.00 0.00 0.00 21 Q H H 118.97 1.93 19.65 20.91 91.97 54.13 -64.56 -40.26 1.26 0.00 98.74 0.12 0.08 0.92 98.14 0.74 0.00 0.00 0.00 22 Q H H 50.57 11.58 18.15 30.43 92.10 49.24 -66.07 -40.53 0.44 0.00 99.56 0.07 0.03 0.26 99.05 0.59 0.00 0.00 0.00 23 F H H 15.58 20.39 15.76 36.20 91.53 50.71 -63.49 -42.31 0.20 0.00 99.80 0.04 0.01 0.10 99.74 0.11 0.00 0.00 0.00 24 E H H 87.99 6.75 23.44 30.54 91.44 50.89 -63.29 -41.81 0.12 0.00 99.88 0.02 0.00 0.06 99.90 0.02 0.00 0.00 0.00 25 R H H 95.89 7.28 24.07 31.48 91.72 50.01 -64.44 -41.43 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 26 A H H 5.82 21.03 18.81 40.17 91.64 50.73 -63.89 -42.05 0.17 0.00 99.83 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 27 R H H 60.12 15.13 20.66 35.24 91.57 52.21 -63.32 -41.46 0.46 0.00 99.54 0.05 0.03 0.35 99.40 0.17 0.00 0.00 0.00 28 V H H 68.93 6.18 22.72 29.22 92.05 50.79 -65.05 -41.34 0.82 0.00 99.18 0.05 0.04 0.71 98.86 0.33 0.00 0.00 0.00 29 I H H 45.76 14.54 20.07 34.31 92.91 48.53 -67.26 -38.92 3.24 0.01 96.75 0.07 0.11 3.23 96.27 0.31 0.01 0.00 0.00 30 L C T 23.85 18.82 16.91 35.86 95.15 42.87 -90.68 -4.16 55.63 0.07 44.30 0.48 1.51 52.64 44.40 0.86 0.03 0.02 0.06 31 D C T 88.87 6.52 21.52 28.54 95.53 -121.69 65.07 31.41 97.44 0.09 2.47 5.78 4.27 87.58 1.87 0.41 0.00 0.04 0.05 32 C C C 32.00 13.96 15.08 29.60 102.50 126.57 -96.35 5.01 90.21 1.64 8.15 59.77 17.91 12.20 2.98 5.18 0.00 0.69 1.28 33 Y C C 69.54 14.14 13.55 27.76 110.32 64.86 -97.74 113.55 86.31 2.31 11.38 44.28 18.15 23.89 2.56 8.69 0.00 1.01 1.42 34 S C C 69.72 5.77 15.12 22.04 103.47 111.12 -86.09 8.01 87.45 1.83 10.72 38.19 25.50 23.82 2.08 8.46 0.00 0.75 1.19 35 D C C 81.82 5.90 12.33 19.71 108.98 88.14 -90.66 102.63 89.40 1.67 8.93 54.21 24.61 10.18 2.66 6.26 0.00 0.57 1.52 36 E C G 125.01 4.73 11.50 17.98 97.05 -160.37 -68.12 -22.95 54.46 0.57 44.97 10.47 9.49 33.91 4.85 40.66 0.00 0.28 0.33 37 E C T 139.58 2.09 13.33 16.08 95.13 66.44 -71.57 -20.84 54.82 0.30 44.88 3.90 6.31 43.39 4.77 41.28 0.00 0.16 0.19 38 L C G 73.25 9.19 10.88 21.15 100.22 47.81 -95.38 0.91 52.07 0.92 47.01 9.21 9.56 33.38 5.16 41.68 0.01 0.47 0.53 39 R C C 99.77 9.48 11.25 21.86 113.74 103.95 -85.54 131.80 82.24 1.74 16.02 50.92 18.49 12.58 4.37 11.58 0.00 0.70 1.37 40 P C C 83.95 6.58 11.79 19.76 102.83 -110.34 -70.14 66.69 87.31 0.87 11.82 41.48 16.42 29.13 2.03 10.00 0.00 0.40 0.54 41 D C C 121.18 1.54 13.90 15.71 100.66 58.05 -88.36 7.66 88.65 1.45 9.90 42.01 23.95 22.17 1.45 8.86 0.00 0.61 0.95 42 S C C 53.74 8.56 9.44 19.26 118.82 101.21 -94.62 144.05 98.47 0.91 0.62 58.10 39.29 1.12 0.21 0.31 0.00 0.30 0.66 43 P C C 89.42 3.61 13.92 18.82 114.89 -102.57 -68.82 149.53 99.13 0.54 0.32 88.97 9.57 0.63 0.12 0.15 0.00 0.22 0.34 44 P C C 90.94 6.69 12.40 20.78 112.39 -102.23 -67.53 144.35 98.27 0.79 0.94 91.44 5.68 1.26 0.40 0.39 0.00 0.32 0.51 45 V C C 68.55 10.46 11.87 23.25 117.52 -137.64 -98.45 139.22 95.85 2.24 1.92 89.63 5.23 1.09 1.08 0.67 0.00 0.97 1.33 46 A C C 74.29 3.97 17.52 22.49 113.19 -116.09 -76.82 138.84 94.85 2.73 2.41 89.38 4.57 1.20 1.38 0.81 0.00 1.54 1.14 47 V C C 44.84 18.26 9.32 26.14 114.81 -131.94 -90.05 131.85 85.72 5.83 8.45 80.50 3.88 2.11 4.91 2.88 0.00 4.44 1.28 48 K C C 141.40 2.84 17.99 21.36 100.97 -173.42 -89.19 -31.01 78.46 10.23 11.31 38.48 35.23 4.93 8.43 3.21 0.03 8.35 1.33 49 E E E 101.51 5.82 18.79 25.56 133.70 3.83 -140.94 148.91 33.29 53.61 13.10 25.66 5.39 2.44 10.82 3.32 0.05 49.33 3.00 50 V E E 40.96 19.13 13.83 31.85 122.92 -163.02 -118.07 133.54 30.61 55.42 13.96 26.53 1.83 1.08 12.71 1.80 0.01 54.68 1.38 51 T E E 58.27 9.15 20.95 30.44 117.13 -167.24 -108.95 135.74 32.05 51.21 16.74 25.43 2.89 1.73 16.10 1.85 0.01 50.64 1.36 52 I E E 45.20 17.36 16.31 32.99 115.82 -156.50 -102.78 128.91 32.80 38.80 28.40 24.84 3.48 2.47 26.68 2.53 0.02 38.71 1.29 53 N C C 64.75 9.79 20.17 30.11 115.67 -142.29 -90.95 138.18 46.09 20.39 33.52 36.62 4.05 3.31 32.30 2.27 0.01 20.38 1.05 54 T H H 45.98 15.26 18.78 33.19 96.20 -133.89 -69.56 -32.46 21.53 3.48 74.99 15.07 3.46 4.47 71.22 2.36 0.02 2.95 0.45 55 L H H 52.17 13.79 19.39 32.73 93.72 56.61 -65.73 -39.88 5.89 0.76 93.35 3.32 1.03 2.20 90.18 2.42 0.01 0.74 0.10 56 Q H H 70.67 8.19 20.96 29.67 92.50 52.54 -65.54 -40.25 3.87 0.51 95.62 2.03 0.62 1.64 92.64 2.47 0.01 0.53 0.06 57 T H H 28.06 13.69 18.55 32.72 92.74 51.62 -66.22 -40.44 4.00 0.38 95.62 1.83 0.59 1.94 92.67 2.55 0.02 0.36 0.06 58 M H H 42.14 16.14 17.45 33.24 92.88 52.53 -65.37 -39.26 2.72 0.11 97.16 0.88 0.35 1.57 93.78 3.29 0.01 0.09 0.02 59 R H H 115.28 8.92 19.21 28.45 92.46 53.69 -66.23 -36.94 4.82 0.07 95.10 0.70 0.40 3.66 89.84 5.30 0.01 0.05 0.02 60 F H H 106.28 7.53 18.87 26.84 95.09 49.08 -77.21 -26.18 13.27 0.07 86.66 0.94 0.89 11.52 82.43 4.11 0.04 0.04 0.03 61 L H H 55.93 12.79 15.53 28.61 99.28 44.69 -93.27 -8.10 32.47 0.33 67.20 4.44 5.45 23.62 62.91 3.08 0.12 0.12 0.24 62 F C S 59.39 14.78 11.46 26.30 115.74 98.55 -84.87 135.42 95.26 0.89 3.86 43.05 47.97 4.13 3.11 0.77 0.00 0.26 0.70 63 P C C 78.52 5.57 13.86 20.88 105.39 -119.66 -69.00 128.63 94.89 1.16 3.95 78.92 7.59 8.43 1.89 1.86 0.00 0.55 0.78 64 Q C C 124.79 3.76 11.80 17.16 107.80 -115.64 -84.95 89.63 94.12 1.34 4.55 60.81 19.68 13.68 1.95 2.39 0.00 0.54 0.95 65 T C C 96.93 3.32 11.74 16.49 105.65 56.49 -88.62 62.72 94.55 0.87 4.58 57.70 22.91 14.01 2.15 2.28 0.00 0.36 0.58 66 S C C 51.23 6.56 9.35 17.62 114.22 137.61 -92.44 135.02 84.00 0.88 15.13 57.97 16.24 9.60 10.30 4.87 0.00 0.33 0.68 67 K H H 157.55 1.57 12.53 14.80 95.73 -130.72 -66.26 -29.87 43.48 0.77 55.75 19.35 10.08 14.97 40.92 13.89 0.03 0.36 0.40 68 E H H 123.34 2.44 13.46 16.61 94.78 58.75 -70.81 -31.78 38.13 1.30 60.57 18.05 7.68 13.30 46.28 13.39 0.05 0.74 0.52 69 H H H 67.64 9.97 11.79 22.83 96.29 51.52 -75.49 -26.32 34.00 0.95 65.05 24.44 3.97 6.72 52.97 11.01 0.01 0.52 0.36 70 L H H 71.94 8.03 13.75 23.19 93.29 66.64 -63.57 -40.80 4.64 0.04 95.32 2.66 0.59 1.39 94.28 1.06 0.00 0.02 0.01 71 D H H 91.06 1.88 18.90 19.77 92.12 51.63 -64.91 -40.45 1.65 0.01 98.33 0.61 0.18 0.77 97.72 0.70 0.00 0.01 0.00 72 I H H 73.73 5.71 18.16 24.85 92.16 49.83 -65.40 -41.62 0.73 0.01 99.26 0.25 0.07 0.36 98.80 0.52 0.00 0.00 0.00 73 K H H 50.33 14.68 16.09 30.85 92.20 50.79 -64.28 -41.72 0.49 0.00 99.51 0.16 0.05 0.24 99.35 0.21 0.00 0.00 0.00 74 Q H H 85.58 7.97 19.72 28.25 91.83 50.93 -64.01 -40.99 0.37 0.00 99.63 0.11 0.03 0.18 99.60 0.07 0.00 0.00 0.00 75 N H H 84.70 3.06 22.36 24.71 91.94 50.28 -65.02 -41.17 0.37 0.00 99.63 0.08 0.03 0.21 99.62 0.06 0.00 0.00 0.00 76 I H H 53.50 8.89 20.57 30.32 92.04 49.82 -65.03 -42.40 0.24 0.00 99.76 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 77 A H H 16.52 15.04 18.06 33.84 91.87 50.81 -63.49 -42.23 0.22 0.00 99.78 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 78 S H H 49.31 6.72 21.18 28.45 91.74 51.32 -63.53 -41.16 0.46 0.00 99.54 0.04 0.02 0.32 99.55 0.07 0.00 0.00 0.00 79 Y H H 114.70 3.97 22.55 26.14 91.89 49.92 -65.11 -41.72 0.61 0.00 99.39 0.07 0.04 0.42 99.38 0.09 0.00 0.00 0.00 80 K H H 73.39 11.16 20.47 31.58 92.17 49.84 -65.00 -41.62 0.70 0.00 99.30 0.15 0.06 0.42 99.25 0.12 0.00 0.00 0.00 81 I H H 40.43 14.30 18.56 33.02 92.24 49.36 -64.44 -42.70 0.57 0.00 99.43 0.11 0.05 0.35 99.37 0.12 0.00 0.00 0.00 82 F H H 104.81 4.54 21.81 26.39 91.90 49.50 -64.63 -41.43 0.85 0.00 99.14 0.15 0.07 0.53 99.06 0.18 0.00 0.00 0.00 83 S H H 42.40 4.90 20.61 26.15 91.73 50.07 -64.32 -41.45 2.07 0.01 97.92 0.29 0.15 1.42 97.79 0.33 0.00 0.00 0.00 84 L H H 33.62 13.58 17.59 31.92 92.03 49.54 -64.82 -41.90 2.88 0.01 97.12 0.40 0.26 2.02 96.75 0.57 0.00 0.00 0.00 85 N H H 55.46 11.62 17.27 29.23 91.93 52.12 -63.81 -39.94 3.20 0.01 96.78 0.56 0.27 2.17 95.82 1.16 0.00 0.00 0.00 86 R H H 140.53 2.22 19.77 21.29 92.03 50.72 -65.41 -39.77 3.00 0.01 96.99 0.31 0.21 2.29 93.97 3.21 0.00 0.00 0.00 87 E H H 96.67 4.99 18.30 23.74 92.41 49.44 -66.91 -39.45 7.19 0.02 92.80 0.38 0.36 6.35 88.82 4.06 0.01 0.01 0.01 88 L H H 31.86 15.50 13.11 29.03 93.01 48.22 -69.69 -37.25 12.19 0.02 87.79 0.61 0.70 10.70 81.61 6.35 0.02 0.01 0.01 89 L H G 82.90 8.28 14.02 23.41 91.42 58.24 -62.56 -35.72 11.87 0.07 88.06 1.32 0.95 8.19 38.59 50.87 0.01 0.04 0.03 90 S H G 87.53 1.17 16.92 17.05 91.51 57.35 -71.96 -18.78 24.64 0.07 75.29 1.23 1.23 20.96 23.01 53.47 0.01 0.04 0.05 91 L H G 88.91 7.09 13.05 21.19 96.17 55.48 -88.09 -10.21 34.54 0.22 65.24 2.64 3.23 26.94 13.99 52.91 0.02 0.12 0.15 92 L C S 53.78 14.23 7.46 21.21 117.70 91.71 -87.97 138.39 97.70 1.06 1.24 22.33 74.17 1.32 0.81 0.29 0.00 0.30 0.78 93 P C C 96.88 2.77 12.34 16.47 111.70 -108.74 -68.53 146.05 98.05 1.07 0.88 95.07 1.01 2.29 0.36 0.26 0.00 0.53 0.48 94 K C C 152.57 3.36 11.76 17.31 109.78 -109.83 -78.91 129.26 99.82 0.13 0.04 99.58 0.18 0.11 0.01 0.01 0.00 0.05 0.05