# 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 S C C 68.88 4.95 11.53 18.00 116.53 -149.57 -92.86 145.33 99.81 0.09 0.10 99.67 0.12 0.09 0.06 0.01 0.00 0.04 0.02 1 N C C 106.71 3.22 10.11 14.84 108.38 -141.62 -88.50 121.20 75.13 1.28 23.59 69.22 1.22 4.21 22.93 1.30 0.00 0.57 0.55 2 A C H 74.05 3.02 9.32 13.84 97.83 58.50 -69.65 -31.95 49.86 1.95 48.19 33.86 7.82 8.45 44.51 3.61 0.01 0.97 0.78 3 M H H 111.04 2.84 10.70 14.63 95.97 55.77 -70.33 -33.24 45.34 1.88 52.78 32.67 6.77 6.64 48.35 3.92 0.01 0.96 0.68 4 S H H 59.55 3.16 11.67 15.99 94.65 57.07 -68.27 -38.31 39.28 1.84 58.88 31.62 5.26 4.39 53.83 3.38 0.01 0.91 0.60 5 T H H 77.43 3.21 11.76 16.15 93.68 53.35 -68.53 -37.78 17.03 1.22 81.76 12.35 3.43 3.81 76.64 2.71 0.03 0.68 0.36 6 L H H 92.13 2.78 12.37 16.09 93.17 52.66 -66.33 -39.15 12.73 1.52 85.75 8.35 2.33 4.06 80.73 3.03 0.05 1.08 0.37 7 R H H 138.72 2.38 13.05 15.93 93.62 51.87 -67.82 -37.30 14.17 1.86 83.98 9.04 2.46 4.75 78.66 3.20 0.08 1.37 0.44 8 L H H 84.03 4.32 10.80 16.55 94.75 53.61 -69.00 -36.55 19.01 2.00 78.99 11.76 3.23 6.16 74.03 2.80 0.11 1.30 0.62 9 K H H 129.71 2.84 11.98 15.77 95.59 55.12 -69.83 -34.64 24.91 1.57 73.52 13.41 3.57 8.96 70.21 2.34 0.06 0.95 0.51 10 E H H 135.54 2.01 11.37 14.08 96.99 53.64 -75.18 -20.24 35.99 1.10 62.92 13.52 5.05 17.53 60.53 2.35 0.04 0.57 0.42 11 A C H 71.99 3.55 9.97 14.85 101.25 68.56 -80.52 -3.58 62.42 0.90 36.68 17.84 10.56 32.94 35.35 2.46 0.03 0.37 0.44 12 K C T 156.54 2.06 11.71 14.56 101.01 -120.98 -78.14 33.76 89.87 2.23 7.90 35.21 18.56 36.69 5.20 2.30 0.00 1.31 0.72 13 V C C 87.23 5.58 9.39 16.74 118.47 124.10 -98.17 136.16 92.81 6.76 0.43 62.86 29.02 1.37 0.17 0.28 0.00 5.26 1.04 14 P C C 81.63 6.21 10.45 18.13 113.92 -111.03 -73.26 143.84 84.31 15.42 0.27 76.36 5.68 0.99 0.06 0.21 0.00 16.08 0.63 15 S E E 78.82 3.42 12.94 17.80 119.05 -149.00 -104.72 136.44 21.66 77.99 0.35 19.26 1.95 0.41 0.12 0.22 0.00 74.93 3.10 16 V E E 85.90 8.36 8.79 18.63 122.86 -163.02 -118.78 137.79 16.12 83.73 0.16 15.53 0.64 0.09 0.06 0.06 0.00 82.65 0.97 17 Q E E 127.90 2.38 14.01 17.45 120.35 -158.43 -110.81 138.60 21.43 78.25 0.33 19.43 1.53 0.25 0.11 0.15 0.00 77.81 0.73 18 F E E 133.63 6.52 9.91 17.99 114.18 -117.93 -80.36 133.22 42.85 56.18 0.97 36.81 4.83 0.84 0.38 0.57 0.00 54.30 2.27 19 V C C 80.90 6.07 10.16 17.87 114.85 -160.36 -102.43 132.14 82.62 15.74 1.64 70.74 9.18 2.13 0.70 0.90 0.00 14.76 1.58 20 G C C 39.79 3.23 13.02 17.15 119.64 -110.41 -75.56 165.43 91.73 3.43 4.84 72.83 14.79 4.20 3.32 1.56 0.00 2.38 0.93 21 D H H 106.39 4.07 10.10 15.52 96.09 -96.36 -68.05 -26.07 35.15 0.84 64.01 12.83 8.45 14.22 48.47 15.11 0.11 0.42 0.40 22 D H H 114.28 1.37 12.31 13.88 96.16 59.56 -71.81 -21.87 29.78 0.76 69.46 7.92 6.09 15.46 53.41 16.24 0.14 0.42 0.31 23 D H H 81.23 4.05 11.47 16.92 99.83 54.57 -79.91 -18.14 26.34 2.19 71.48 13.72 4.72 8.66 54.01 16.76 0.07 1.54 0.52 24 V H H 65.61 7.22 10.24 18.76 96.72 74.26 -69.49 -38.69 17.72 4.26 78.02 10.94 3.83 5.41 67.43 8.07 0.11 3.44 0.77 25 L H H 92.61 4.26 12.25 17.79 94.20 56.80 -67.71 -35.88 11.95 3.17 84.88 5.53 2.06 4.95 69.48 14.32 0.12 3.17 0.37 26 S H H 75.07 2.26 13.83 16.51 94.04 56.95 -70.92 -25.11 17.24 2.43 80.33 5.07 2.41 9.57 65.26 14.79 0.20 2.32 0.38 27 H H H 106.53 4.99 11.97 18.19 97.75 56.37 -84.85 -10.26 24.27 2.93 72.80 6.75 3.72 13.73 60.15 12.19 0.35 2.49 0.62 28 I H H 87.19 6.52 10.36 18.19 109.17 82.08 -86.92 110.99 27.47 18.19 54.35 14.06 6.57 8.89 48.74 4.11 0.56 13.12 3.95 29 L H H 102.33 3.69 10.85 15.86 107.26 51.41 -85.73 75.32 33.65 19.01 47.33 18.99 6.35 8.60 43.76 3.49 0.25 15.72 2.83 30 D C H 95.43 3.41 9.99 14.82 106.12 54.54 -85.48 78.86 49.88 11.67 38.45 31.79 6.03 10.37 36.44 3.45 0.05 10.23 1.64 31 R C H 167.39 2.52 9.43 13.48 98.51 125.32 -75.39 -14.29 51.93 8.37 39.69 23.49 10.48 18.30 34.18 5.21 0.25 6.30 1.78 32 E C T 141.92 1.76 9.52 12.24 101.06 62.06 -86.20 3.84 62.83 6.13 31.04 24.55 12.05 26.42 25.83 5.30 0.18 3.87 1.80 33 G C T 52.42 2.73 9.99 14.13 106.62 -82.64 71.52 10.59 80.80 2.52 16.68 26.03 17.61 37.24 12.31 4.44 0.03 1.44 0.91 34 G C C 49.90 3.22 9.59 14.44 111.84 -51.47 83.96 -15.18 85.63 5.15 9.21 35.86 23.79 26.81 5.11 3.75 0.02 3.43 1.24 35 T C C 98.81 2.70 9.51 13.76 109.63 -69.73 -91.48 107.03 72.00 16.67 11.33 49.33 14.79 7.43 7.99 4.07 0.06 12.33 3.99 36 K C C 141.72 2.60 9.47 13.75 112.82 72.34 -94.78 127.60 63.30 21.71 15.00 46.33 10.40 5.69 11.69 4.25 0.08 16.73 4.82 37 L C C 109.62 4.08 8.15 13.95 113.02 -153.02 -89.15 128.63 65.70 15.77 18.53 48.32 9.88 6.63 14.32 5.07 0.04 12.84 2.90 38 K C C 140.09 2.67 8.64 12.96 112.58 -143.20 -92.12 127.26 70.01 10.23 19.76 50.79 9.56 8.91 14.36 6.13 0.03 8.07 2.16 39 K C C 153.27 2.18 8.57 12.21 106.98 -150.68 -86.26 53.26 64.15 5.42 30.43 29.63 15.73 19.32 18.79 11.35 0.12 3.53 1.53 40 E C C 145.39 1.77 9.12 12.01 105.70 81.98 -87.32 11.84 63.17 6.12 30.71 27.59 16.76 19.50 18.35 11.93 0.17 4.11 1.59 41 K C C 143.92 2.69 9.09 13.27 109.17 66.28 -90.31 99.03 60.22 12.49 27.28 38.50 12.20 9.63 17.19 10.48 0.12 9.39 2.50 42 V C C 96.24 4.83 7.82 14.35 114.27 112.63 -95.95 127.98 61.06 19.00 19.94 47.66 8.24 4.42 14.91 5.40 0.02 16.98 2.37 43 Q C C 124.22 3.51 9.75 14.93 115.16 -151.91 -94.95 129.65 53.23 29.01 17.76 42.52 5.97 3.93 13.71 4.51 0.02 26.63 2.71 44 L C C 111.11 4.64 9.68 16.07 115.37 -148.70 -96.78 128.85 49.33 35.35 15.32 39.40 5.53 3.75 11.39 4.22 0.02 32.78 2.90 45 L C C 118.14 3.69 10.81 16.01 115.91 -153.72 -96.71 129.85 52.24 37.57 10.19 39.80 8.18 3.58 7.96 3.05 0.04 32.47 4.91 46 V C C 73.05 7.83 9.20 18.55 120.38 -157.45 -108.93 136.72 68.20 27.93 3.87 54.22 11.50 1.79 3.17 1.27 0.01 22.66 5.39 47 N C C 84.00 3.83 14.18 19.04 114.80 -134.11 -89.95 131.67 93.44 5.10 1.46 88.94 4.26 0.55 1.27 0.26 0.00 3.91 0.81 48 P H H 77.06 7.30 10.14 19.13 93.46 -134.73 -61.30 -33.09 27.58 1.38 71.04 13.39 4.24 10.91 60.64 9.40 0.05 1.00 0.36 49 Q H H 121.15 2.28 13.12 16.07 92.86 58.04 -66.68 -35.83 23.59 1.22 75.19 9.29 3.94 11.13 63.24 11.09 0.09 0.85 0.36 50 K H H 117.24 2.74 13.71 17.08 95.26 52.28 -71.01 -36.17 21.58 2.19 76.23 12.38 3.92 6.70 63.07 11.78 0.06 1.62 0.47 51 V H H 60.68 7.76 11.02 20.17 96.93 56.82 -71.01 -36.72 25.79 4.69 69.52 17.81 3.94 5.79 61.54 6.24 0.05 3.83 0.79 52 I H H 86.52 5.88 11.92 19.21 97.29 56.42 -73.01 -33.90 35.57 7.21 57.22 25.22 5.16 6.66 52.59 3.57 0.07 5.28 1.44 53 K C H 131.24 2.43 12.66 15.73 97.80 57.42 -72.42 -31.78 52.79 4.06 43.15 37.86 6.43 8.03 41.56 2.52 0.03 2.65 0.92 54 K C C 127.32 3.27 11.75 16.15 98.98 57.46 -78.98 -19.10 62.17 2.80 35.03 45.53 7.42 8.17 33.60 2.79 0.01 1.70 0.76 55 A C C 63.70 5.05 9.70 16.33 101.87 65.19 -75.58 -23.18 62.63 2.51 34.85 45.94 7.43 8.73 31.30 4.28 0.01 1.51 0.79 56 E C C 131.07 2.59 11.47 15.12 99.26 63.32 -76.50 -21.76 65.04 2.35 32.61 45.03 8.19 11.41 28.03 5.10 0.01 1.46 0.75 57 C C C 80.16 4.25 9.81 15.53 102.84 63.77 -86.03 10.99 68.41 3.00 28.59 46.45 9.68 12.11 23.44 5.41 0.01 1.94 0.95 58 E C C 125.04 3.29 10.41 15.14 103.03 70.73 -84.85 12.96 71.65 3.12 25.23 52.02 9.16 9.76 21.43 4.60 0.01 2.07 0.97 59 L C C 105.71 4.07 8.95 14.65 105.19 89.73 -85.24 33.42 73.96 2.31 23.73 50.59 10.60 12.17 19.91 4.49 0.00 1.40 0.84 60 E C C 130.08 2.78 9.86 14.00 106.42 76.72 -84.57 71.12 78.64 1.27 20.09 52.94 12.32 12.62 16.98 3.88 0.00 0.67 0.57 61 K C C 139.55 2.88 9.81 14.10 104.92 62.57 -85.56 52.16 79.19 0.86 19.95 55.01 11.92 11.41 17.10 3.71 0.00 0.43 0.42 62 S C C 70.14 4.09 9.84 15.45 103.53 93.41 -82.60 0.91 74.19 0.77 25.04 54.53 9.27 9.59 21.60 4.26 0.00 0.39 0.35 63 D C C 95.63 3.78 11.08 16.12 101.56 67.87 -82.37 -7.38 61.55 1.02 37.43 47.87 6.78 7.05 32.22 5.14 0.00 0.57 0.37 64 L H H 96.90 4.95 10.86 17.19 101.18 74.32 -79.92 -16.27 47.73 1.74 50.53 36.53 5.67 6.47 43.04 6.69 0.01 1.12 0.47 65 E H H 108.14 4.12 12.87 18.15 101.42 62.64 -76.80 -16.71 43.00 3.70 53.30 33.02 4.93 6.27 44.86 7.35 0.02 2.81 0.74 66 V H H 74.68 6.99 11.87 20.13 99.58 56.42 -76.23 -28.61 40.57 4.46 54.97 30.30 5.13 6.64 46.50 7.08 0.03 3.41 0.90 67 L H H 85.03 7.13 11.91 20.19 100.79 58.52 -80.89 -9.91 45.75 3.65 50.60 32.55 6.36 8.14 43.50 5.99 0.02 2.48 0.95 68 E C H 116.61 3.91 14.02 18.91 103.28 72.43 -81.52 -10.69 54.82 2.25 42.93 37.57 8.19 9.53 38.49 4.20 0.01 1.26 0.75 69 D C H 79.99 6.98 12.51 20.59 101.22 63.78 -78.69 -10.70 55.09 1.53 43.37 35.16 8.86 11.44 38.85 4.29 0.02 0.77 0.63 70 Q C H 103.21 5.97 14.32 21.31 98.94 69.63 -76.21 -23.32 53.76 1.20 45.03 25.79 9.55 18.47 40.99 4.06 0.03 0.58 0.54 71 N C H 76.08 6.44 16.33 23.68 99.33 58.46 -78.32 -14.01 55.57 1.89 42.54 34.93 7.40 13.67 38.76 3.45 0.02 0.98 0.79 72 Y H H 64.53 12.60 15.09 28.31 94.19 83.84 -65.29 -40.93 13.88 1.50 84.62 10.56 2.68 3.01 80.39 2.11 0.02 0.82 0.42 73 V H H 43.13 11.86 16.42 28.98 92.57 52.32 -65.25 -41.26 5.58 1.95 92.47 3.10 1.12 2.29 88.41 3.03 0.06 1.73 0.25 74 E H H 101.44 4.71 19.40 24.65 92.08 51.73 -65.24 -39.50 4.79 1.60 93.60 2.22 0.76 2.38 88.93 3.87 0.06 1.59 0.19 75 V H H 56.38 8.74 17.36 27.04 92.88 51.03 -67.33 -37.73 8.87 1.61 89.52 2.89 1.11 5.44 84.19 4.47 0.15 1.47 0.28 76 L H H 57.49 12.06 16.06 28.40 94.31 51.44 -78.06 -16.24 31.64 1.67 66.69 4.15 3.27 23.97 63.35 3.39 0.25 1.05 0.56 77 G C T 33.61 9.58 17.13 27.05 99.73 -73.31 78.84 4.11 69.72 1.31 28.97 13.87 6.56 47.36 28.53 2.44 0.02 0.75 0.48 78 R C H 114.41 7.52 15.81 24.24 109.58 123.19 -83.42 123.98 54.86 4.88 40.26 22.78 11.54 21.34 35.26 4.44 0.13 3.07 1.43 79 N C H 85.61 6.25 16.64 23.61 101.88 13.84 -61.25 32.51 48.22 5.81 45.98 26.84 8.71 13.90 39.43 5.57 0.10 3.99 1.47 80 I H H 69.44 9.77 13.03 23.83 98.46 98.03 -75.13 -28.06 35.55 5.69 58.75 23.95 6.06 7.51 49.62 7.36 0.06 4.30 1.15 81 Q H H 96.83 5.96 14.32 21.37 96.06 61.38 -69.94 -33.53 30.74 5.55 63.71 19.28 5.88 7.97 52.58 8.83 0.11 4.14 1.21 82 E H H 118.15 3.65 14.06 18.61 96.22 56.81 -71.11 -31.45 33.94 3.84 62.22 17.95 6.68 11.01 49.48 11.00 0.14 2.71 1.02 83 S H H 68.61 4.75 12.54 18.52 97.80 55.29 -77.11 -15.87 42.07 2.93 55.00 19.15 7.46 17.11 43.80 9.42 0.14 1.89 1.02 84 L C H 98.00 6.03 10.80 18.18 101.28 57.09 -83.93 1.10 60.59 3.30 36.11 22.86 13.92 25.18 26.96 7.69 0.17 1.63 1.59 85 G C T 52.02 3.17 12.51 16.91 106.41 -85.19 60.55 -4.46 83.48 2.13 14.39 28.05 18.85 37.22 8.06 5.73 0.02 1.07 1.00 86 N C T 118.20 2.70 11.84 15.66 104.46 34.02 -90.18 43.36 86.30 2.91 10.79 28.69 22.14 36.46 3.76 6.08 0.01 1.49 1.36 87 G C C 48.39 4.71 11.81 18.02 103.20 -85.64 84.12 0.09 88.38 5.46 6.16 36.76 26.40 25.97 1.36 4.54 0.01 3.07 1.88 88 S C C 66.29 5.77 12.30 19.40 112.42 123.28 -92.76 132.27 79.66 13.71 6.63 52.88 17.01 9.68 2.21 4.55 0.01 8.78 4.88 89 A C C 63.01 7.05 11.70 20.22 116.30 -135.07 -94.38 135.82 74.32 18.57 7.11 49.76 15.37 9.10 2.59 4.64 0.04 12.46 6.04 90 V C C 87.99 6.67 11.91 19.93 115.20 -161.18 -99.14 132.12 70.00 20.20 9.81 42.35 16.52 11.88 3.72 6.00 0.11 13.28 6.15 91 D C C 100.07 4.28 13.41 18.95 114.14 -124.92 -87.69 135.18 73.65 15.22 11.14 29.50 17.38 28.81 3.76 6.55 0.12 9.90 3.98 92 G C C 43.82 6.31 12.78 20.06 105.94 20.24 80.11 -4.25 81.21 8.46 10.33 33.03 20.44 29.39 3.11 6.38 0.04 4.99 2.62 93 R C C 131.53 6.63 11.37 19.07 104.40 92.57 -85.39 15.69 75.74 9.45 14.81 43.73 18.04 14.71 6.02 8.25 0.07 4.98 4.22 94 N C C 98.63 5.26 11.79 18.35 103.06 94.60 -86.63 -1.98 71.21 8.06 20.73 38.30 18.08 15.77 8.84 11.07 0.09 4.30 3.54 95 K C T 140.50 3.33 13.59 17.84 100.15 63.99 -82.13 -11.89 60.96 7.38 31.67 22.25 17.41 23.24 12.02 17.68 0.33 4.43 2.65 96 V C T 86.58 6.78 12.20 19.76 101.38 53.65 -89.88 -23.78 56.22 11.91 31.87 16.87 15.51 25.31 13.65 16.46 0.92 7.57 3.72 97 Y C C 109.68 8.51 11.44 21.07 118.15 33.68 -111.87 127.17 51.52 20.85 27.63 23.65 13.23 16.77 12.71 13.44 0.82 13.95 5.43 98 S C C 61.85 5.59 14.02 21.04 119.15 -149.72 -104.28 139.33 64.73 23.27 12.00 47.15 10.89 6.44 7.37 4.98 0.06 18.72 4.39 99 F C C 111.99 8.53 9.74 19.32 116.38 -152.37 -98.45 133.29 61.57 30.34 8.10 46.68 9.34 4.90 4.87 3.53 0.06 24.65 5.97 100 Q C C 118.03 3.96 9.98 15.81 117.34 -156.46 -100.74 132.05 57.22 37.28 5.50 47.00 5.64 3.48 3.57 2.29 0.03 30.47 7.52 101 H C C 140.74 3.07 8.68 13.70 115.00 -153.33 -97.52 132.14 65.40 32.65 1.94 62.17 1.53 1.28 1.23 0.68 0.00 25.12 8.00 102 R C C 166.45 2.94 10.27 14.96 110.30 -131.49 -86.64 122.60 99.34 0.62 0.04 99.30 0.12 0.07 0.02 0.01 0.00 0.46 0.04