# 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 49.88 12.52 15.18 27.55 115.51 -136.30 -88.31 133.23 99.77 0.19 0.04 99.66 0.15 0.05 0.02 0.00 0.00 0.08 0.04 1 T C C 54.94 9.90 12.61 23.56 116.33 -135.07 -88.01 142.88 87.82 0.31 11.87 84.93 0.98 2.30 10.67 0.81 0.00 0.11 0.19 2 P C H 93.15 3.39 13.46 18.05 97.28 -114.46 -63.91 -30.68 56.37 0.39 43.24 15.69 5.33 34.97 36.57 6.97 0.02 0.19 0.26 3 S H H 65.10 4.35 13.68 19.11 98.21 50.05 -74.76 -18.93 47.23 0.41 52.36 12.75 4.39 29.71 44.39 8.28 0.03 0.20 0.26 4 L H H 48.57 14.17 11.38 25.57 94.23 74.57 -66.28 -38.69 10.01 0.18 89.81 4.50 2.05 4.18 81.53 7.57 0.01 0.11 0.06 5 R H H 135.58 4.92 15.33 21.59 92.11 53.96 -63.82 -40.01 5.31 0.09 94.60 1.52 0.77 3.16 89.48 4.99 0.01 0.06 0.02 6 G H H 38.14 2.21 16.99 18.99 92.53 50.30 -64.50 -40.23 5.70 0.09 94.21 1.39 0.75 3.66 88.92 5.17 0.02 0.06 0.02 7 R H H 84.11 8.82 15.01 25.04 92.53 51.16 -66.47 -40.03 5.12 0.10 94.79 1.48 0.75 3.07 89.91 4.70 0.02 0.06 0.03 8 L H H 45.48 13.45 12.73 26.72 92.35 51.49 -65.19 -39.20 6.88 0.13 92.99 1.69 0.96 4.39 87.40 5.40 0.03 0.08 0.05 9 A H H 73.67 2.61 16.48 19.42 91.65 54.96 -66.22 -29.95 18.80 0.17 81.03 2.75 1.89 14.13 75.41 5.59 0.06 0.09 0.08 10 R H H 153.02 2.74 15.34 18.84 94.50 56.16 -77.88 -16.16 42.13 0.52 57.35 6.95 5.02 30.44 50.95 5.96 0.11 0.23 0.32 11 F C T 81.04 12.78 10.22 23.04 103.26 77.44 -81.13 21.47 66.73 1.42 31.85 23.47 12.70 31.15 26.58 4.61 0.06 0.55 0.88 12 G C C 56.17 2.58 15.28 18.53 101.69 -124.00 71.65 11.38 90.80 1.13 8.07 41.73 18.83 30.77 4.57 2.93 0.00 0.48 0.69 13 N C C 71.88 8.41 9.82 19.54 114.03 131.27 -103.37 118.82 98.29 1.09 0.62 77.21 19.25 1.67 0.24 0.34 0.00 0.39 0.90 14 P C T 104.57 3.29 12.01 16.93 95.15 -146.75 -69.67 -16.28 97.85 0.42 1.73 25.34 28.78 43.52 0.19 1.76 0.00 0.22 0.18 15 R C S 152.83 2.89 12.59 17.03 115.51 82.00 -87.55 139.53 97.81 0.75 1.44 24.07 39.04 34.51 0.15 1.53 0.00 0.39 0.32 16 K C C 136.52 4.62 14.24 20.53 112.78 -105.80 -79.37 127.98 98.24 1.41 0.34 62.02 35.57 0.76 0.10 0.22 0.00 0.55 0.78 17 P C C 43.06 15.49 10.62 26.01 115.58 -115.03 -68.94 146.11 98.46 1.30 0.23 96.68 1.66 0.37 0.06 0.11 0.00 0.67 0.44 18 V C C 88.86 5.14 18.72 24.38 111.24 -125.09 -83.34 128.13 95.04 4.67 0.29 79.24 15.00 0.90 0.09 0.21 0.00 2.00 2.55 19 L C C 58.01 16.36 10.66 26.42 116.40 -140.23 -93.92 131.17 89.56 10.17 0.26 76.75 12.28 0.55 0.10 0.16 0.00 3.82 6.34 20 K C C 130.94 4.03 17.52 22.75 118.09 -160.91 -114.25 125.18 97.18 2.75 0.06 93.91 3.47 0.15 0.02 0.03 0.00 1.76 0.66 21 P C C 64.70 12.23 12.27 24.89 114.49 -115.04 -67.56 145.94 96.71 2.75 0.54 91.48 3.94 1.46 0.14 0.33 0.00 1.52 1.13 22 N C C 103.73 5.96 14.93 22.04 101.41 -142.59 -86.85 1.59 98.16 1.30 0.53 59.19 36.73 2.31 0.13 0.36 0.00 0.50 0.77 23 K C S 108.35 6.03 15.34 22.75 127.30 44.44 -121.26 144.96 96.98 2.12 0.90 32.35 64.20 0.93 0.39 0.35 0.00 0.88 0.89 24 P C C 75.46 7.55 17.15 25.58 115.63 -98.21 -67.41 149.70 95.41 2.29 2.30 87.60 6.16 2.02 0.68 1.36 0.00 1.50 0.67 25 L C C 43.15 18.55 13.02 31.17 113.34 -110.80 -77.41 135.18 85.25 10.90 3.84 77.22 5.53 2.21 1.88 1.91 0.00 7.18 4.05 26 I C C 85.41 7.91 20.71 29.29 120.51 -160.15 -111.59 133.77 72.47 23.37 4.16 61.66 6.95 1.96 2.98 1.55 0.00 14.05 10.85 27 L C C 41.46 18.24 13.02 30.69 113.55 -146.82 -92.07 131.48 77.77 15.67 6.57 66.14 7.68 3.24 3.98 2.78 0.00 11.19 4.99 28 A C C 51.52 7.95 17.37 26.06 111.97 -126.51 -77.11 160.79 77.02 4.71 18.27 44.97 18.92 13.75 9.71 8.13 0.02 2.90 1.59 29 N C C 103.43 6.27 16.62 23.86 100.60 -84.70 -79.42 21.44 74.54 3.22 22.24 32.96 23.36 19.43 11.19 9.96 0.05 1.72 1.32 30 R C C 124.14 7.25 17.45 25.57 117.33 76.93 -111.67 137.10 67.83 9.52 22.65 45.59 11.26 10.66 13.26 9.56 0.04 5.89 3.74 31 V C C 46.94 15.77 12.58 27.88 110.27 -154.52 -96.21 115.07 65.33 9.75 24.92 42.16 12.17 11.16 16.79 8.09 0.07 5.90 3.67 32 G C C 34.80 9.12 15.66 25.32 111.95 52.01 -87.53 124.23 72.20 5.03 22.77 38.43 15.82 18.45 13.82 8.60 0.04 2.97 1.86 33 E C C 116.03 6.18 14.53 21.79 104.80 -73.39 -87.76 59.45 75.86 2.51 21.62 36.43 19.77 20.45 11.70 9.17 0.03 1.20 1.24 34 R C C 124.28 7.92 11.48 20.64 111.45 134.68 -89.24 123.25 77.86 2.49 19.64 42.40 19.57 16.41 11.28 7.85 0.02 1.13 1.35 35 R C C 138.79 5.37 11.90 18.85 114.60 -152.31 -90.82 133.77 82.22 3.02 14.76 55.10 15.24 11.83 8.63 6.12 0.00 1.50 1.57 36 R C C 151.34 4.85 11.26 17.77 108.67 -132.78 -84.47 122.36 82.29 2.98 14.73 53.28 17.29 11.70 8.85 5.89 0.00 1.53 1.46 37 E C C 118.28 4.95 10.25 16.92 112.29 -143.70 -93.40 127.36 84.09 2.60 13.31 54.25 18.55 11.20 8.19 5.14 0.00 1.24 1.42 38 K C C 154.15 2.49 11.58 15.60 108.46 -118.88 -79.40 115.87 83.96 1.65 14.40 45.42 17.63 21.17 8.82 5.27 0.00 0.75 0.94 39 G C C 53.58 3.24 13.11 17.57 107.65 16.38 85.09 -7.22 83.87 1.20 14.93 34.69 25.37 24.49 8.77 5.42 0.01 0.48 0.77 40 E C C 105.42 7.16 13.27 21.61 109.78 92.53 -89.12 114.26 75.45 2.22 22.32 42.76 21.96 10.98 17.41 4.76 0.01 0.91 1.22 41 A C C 43.50 11.03 15.01 26.80 111.36 -120.35 -83.65 136.90 69.86 2.63 27.50 52.44 10.96 5.42 26.12 2.77 0.00 1.22 1.06 42 T C H 48.68 10.12 19.37 30.06 111.33 -142.48 -81.79 156.87 53.69 2.58 43.73 42.42 6.29 4.77 42.53 1.90 0.01 1.17 0.92 43 C H H 24.33 19.76 17.11 35.71 94.65 -94.88 -64.79 -37.86 17.15 0.47 82.38 10.21 3.42 3.71 81.38 0.91 0.01 0.20 0.16 44 I H H 63.85 11.70 20.83 32.47 92.45 53.21 -64.83 -40.75 3.03 0.06 96.92 1.53 0.40 1.00 96.71 0.33 0.00 0.02 0.01 45 T H H 61.97 6.06 23.41 29.60 92.09 50.77 -65.38 -41.16 0.97 0.02 99.01 0.50 0.11 0.34 98.84 0.19 0.00 0.00 0.00 46 E H H 28.21 17.42 20.32 37.37 92.27 50.46 -64.80 -42.14 0.34 0.00 99.66 0.12 0.03 0.14 99.62 0.08 0.00 0.00 0.00 47 M H H 22.49 19.89 20.23 39.42 91.80 50.74 -63.84 -41.26 0.15 0.00 99.85 0.04 0.01 0.07 99.85 0.03 0.00 0.00 0.00 48 S H H 48.04 7.00 23.99 31.38 91.41 51.84 -63.50 -41.13 0.09 0.00 99.91 0.02 0.00 0.05 99.92 0.02 0.00 0.00 0.00 49 V H H 50.43 9.68 23.61 33.70 91.74 50.09 -64.57 -42.08 0.05 0.00 99.95 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 50 M H H 10.62 22.33 19.87 41.77 91.55 50.45 -63.89 -42.43 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 51 M H H 50.20 13.88 22.03 35.71 91.30 50.51 -63.36 -41.56 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 52 A H H 47.04 4.14 23.82 27.81 91.45 51.55 -63.63 -41.30 0.33 0.00 99.67 0.02 0.01 0.25 99.62 0.09 0.00 0.00 0.00 53 C H H 14.55 13.37 17.96 32.95 91.43 50.50 -64.43 -41.22 1.13 0.00 98.86 0.08 0.06 0.88 98.70 0.27 0.00 0.00 0.00 54 W H H 35.77 18.11 14.96 32.98 92.17 51.91 -64.96 -39.77 3.23 0.02 96.75 0.56 0.33 2.25 95.99 0.85 0.01 0.00 0.01 55 K H H 124.95 4.46 18.10 23.49 92.00 54.33 -65.14 -36.47 7.70 0.04 92.26 0.82 0.64 6.20 91.18 1.10 0.02 0.01 0.03 56 Q H H 117.74 2.79 17.51 20.39 95.79 46.75 -82.27 -21.03 19.04 0.07 80.89 1.42 1.89 15.79 79.58 1.22 0.03 0.02 0.05 57 N C T 61.61 10.89 12.62 24.28 102.32 30.78 -108.56 20.12 68.05 0.59 31.36 9.35 12.69 45.01 29.94 2.33 0.05 0.18 0.46 58 E C T 120.02 4.77 18.45 24.09 96.79 -120.99 55.67 38.04 90.58 0.61 8.82 27.36 10.02 53.98 4.78 3.21 0.00 0.28 0.36 59 F C C 58.68 17.52 12.50 29.36 95.13 -84.68 61.92 32.61 88.68 1.74 9.58 56.43 13.77 18.67 4.32 4.78 0.00 0.74 1.28 60 R C C 129.49 4.41 18.22 23.60 109.34 145.62 -90.71 104.95 92.88 1.26 5.85 75.92 10.07 6.87 3.11 2.50 0.00 0.51 1.02 61 D C H 70.44 11.74 12.42 24.45 98.93 -158.98 -71.96 -27.04 56.36 1.13 42.52 21.97 21.70 14.44 31.44 9.17 0.06 0.37 0.84 62 D H H 113.74 1.45 18.30 18.83 93.56 56.08 -64.98 -34.32 28.31 0.14 71.55 2.19 3.29 20.48 46.88 26.86 0.14 0.06 0.10 63 A H H 47.08 7.64 16.11 25.05 92.39 54.06 -70.17 -30.91 25.24 0.09 74.67 1.17 1.82 20.53 50.37 25.86 0.14 0.04 0.07 64 C H H 10.08 20.31 10.80 30.94 97.32 44.93 -93.64 -7.09 27.11 0.11 72.78 2.00 2.03 21.37 53.27 21.13 0.07 0.06 0.09 65 R H H 116.54 6.79 17.71 25.95 91.78 90.35 -59.95 -41.75 1.44 0.00 98.56 0.54 0.15 0.55 98.41 0.33 0.00 0.00 0.00 66 K H H 132.30 1.73 22.54 22.77 91.89 50.17 -64.56 -40.27 0.30 0.00 99.70 0.05 0.02 0.16 99.62 0.15 0.00 0.00 0.00 67 E H H 37.00 15.28 18.53 33.89 92.07 49.63 -65.29 -41.65 0.15 0.00 99.85 0.03 0.01 0.08 99.75 0.13 0.00 0.00 0.00 68 I H H 24.46 17.52 18.31 35.78 91.74 50.22 -63.55 -42.36 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 69 Q H H 100.14 2.85 24.76 26.76 91.47 50.33 -63.66 -41.47 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 70 G H H 21.16 7.37 21.66 30.22 91.62 50.75 -63.96 -41.60 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 71 F H H 15.44 20.81 18.06 38.74 91.77 50.15 -63.77 -42.76 0.06 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 72 L H H 66.58 9.89 22.35 32.42 91.28 50.16 -63.60 -41.40 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 73 D H H 84.27 2.38 25.28 26.23 91.62 49.90 -64.36 -41.47 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 74 C H H 17.08 14.09 19.82 34.93 91.72 49.93 -64.04 -42.80 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 75 A H H 17.42 15.85 19.02 35.19 91.70 49.97 -63.57 -42.03 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 76 A H H 55.05 3.20 23.14 25.68 91.40 50.62 -63.63 -41.77 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 77 R H H 117.73 4.13 22.67 26.73 91.93 49.04 -64.97 -41.37 0.21 0.00 99.79 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 78 A H H 15.62 15.05 16.42 32.41 91.96 50.79 -63.98 -41.53 0.32 0.00 99.68 0.04 0.02 0.19 99.71 0.05 0.00 0.00 0.00 79 Q H H 84.32 6.00 20.56 27.10 91.89 50.62 -64.31 -41.13 0.49 0.00 99.51 0.07 0.03 0.29 99.54 0.08 0.00 0.00 0.00 80 E H H 102.62 2.29 21.19 22.29 91.75 49.97 -64.74 -41.37 0.64 0.00 99.36 0.09 0.04 0.37 99.39 0.11 0.00 0.00 0.00 81 A H H 31.96 7.97 16.37 26.29 91.91 50.87 -64.50 -40.25 1.08 0.00 98.92 0.17 0.07 0.63 98.93 0.19 0.00 0.00 0.00 82 R H H 102.99 7.58 16.97 25.57 92.09 51.48 -64.97 -40.24 1.94 0.01 98.06 0.35 0.15 1.18 97.92 0.39 0.00 0.00 0.00 83 K H H 119.87 2.24 18.59 20.29 92.06 50.79 -65.16 -40.31 4.01 0.02 95.97 0.81 0.35 2.52 95.66 0.64 0.00 0.01 0.01 84 M H H 93.04 3.81 16.63 21.14 92.63 49.89 -66.58 -39.22 7.56 0.06 92.38 1.96 0.91 4.39 91.62 1.06 0.01 0.02 0.02 85 R H H 110.72 6.34 15.04 22.60 92.64 52.51 -65.66 -39.19 11.20 0.12 88.68 4.23 1.71 5.34 86.58 2.00 0.01 0.06 0.06 86 S H H 58.83 3.40 15.57 19.66 93.12 51.93 -66.06 -38.83 17.74 0.24 82.02 7.27 2.48 8.29 78.42 3.28 0.02 0.12 0.10 87 I H H 94.36 3.12 14.86 18.51 93.09 50.34 -67.97 -37.80 22.06 0.39 77.54 9.52 3.61 9.79 72.78 3.91 0.03 0.20 0.17 88 Q H H 90.76 5.70 12.46 19.70 94.07 54.23 -68.84 -33.86 28.03 0.57 71.39 14.19 4.98 10.11 66.20 3.96 0.03 0.27 0.25 89 E H H 119.01 3.85 12.47 17.71 95.29 58.44 -69.84 -31.79 36.86 0.76 62.38 19.80 6.13 12.15 55.99 5.20 0.02 0.38 0.32 90 T H H 99.86 2.03 12.83 15.40 96.76 52.82 -79.04 -21.32 45.34 1.11 53.55 21.72 7.94 17.26 46.50 5.48 0.04 0.54 0.52 91 L C H 107.48 3.92 10.81 16.23 101.40 54.87 -87.99 -1.84 61.70 1.17 37.13 21.65 16.52 24.58 30.94 5.07 0.07 0.46 0.72 92 G C C 48.43 3.34 12.71 17.34 113.88 -112.40 85.64 -168.24 89.95 0.85 9.21 38.11 21.30 31.17 4.41 4.13 0.00 0.37 0.51 93 E C C 137.31 3.61 11.72 16.99 108.52 -47.75 -87.00 97.87 90.69 1.75 7.57 54.64 18.61 17.50 2.23 5.18 0.00 0.87 0.97 94 S C C 76.47 4.13 11.60 17.56 115.35 160.70 -99.50 136.37 91.82 2.53 5.65 54.75 18.81 18.19 1.38 4.29 0.00 1.33 1.24 95 G C C 41.68 5.40 13.93 20.65 119.36 64.99 120.40 -175.15 92.46 3.76 3.77 50.34 26.37 15.78 0.70 3.28 0.00 2.10 1.43 96 S C C 75.95 5.14 15.73 22.23 115.93 -79.19 -100.79 133.39 92.07 5.87 2.06 63.15 24.89 4.11 0.61 1.48 0.00 2.87 2.89 97 L C C 36.65 17.96 9.77 26.90 116.95 -137.86 -91.68 133.76 93.93 5.52 0.55 80.48 12.15 0.53 0.34 0.21 0.00 1.83 4.48 98 L C C 79.41 3.74 18.92 22.91 116.49 -116.00 -71.15 152.45 99.28 0.35 0.37 98.62 0.71 0.09 0.28 0.03 0.00 0.11 0.16 99 P H H 77.68 8.83 12.77 22.91 91.69 -111.91 -57.62 -38.47 2.57 0.01 97.43 0.41 0.25 1.69 96.56 1.09 0.00 0.00 0.00 100 N H H 111.31 1.66 17.68 18.82 92.28 53.76 -64.71 -38.82 1.63 0.00 98.37 0.17 0.11 1.21 97.19 1.32 0.00 0.00 0.00 101 K H H 77.43 8.22 17.05 26.28 92.27 48.75 -66.09 -40.37 0.67 0.00 99.33 0.10 0.05 0.45 98.30 1.10 0.00 0.00 0.00 102 L H H 21.59 18.14 14.19 32.60 91.76 50.87 -63.00 -42.78 0.23 0.00 99.77 0.03 0.02 0.13 99.63 0.18 0.00 0.00 0.00 103 N H H 63.90 7.23 18.63 26.80 91.49 50.53 -63.90 -40.61 0.27 0.00 99.73 0.02 0.01 0.19 99.60 0.18 0.00 0.00 0.00 104 K H H 108.73 2.77 20.82 23.02 91.87 50.57 -64.50 -41.74 0.28 0.00 99.72 0.01 0.01 0.23 99.46 0.28 0.00 0.00 0.00 105 L H H 28.70 14.13 16.60 31.60 91.94 50.24 -63.89 -42.60 0.48 0.00 99.52 0.02 0.02 0.42 99.05 0.50 0.00 0.00 0.00 106 L H H 39.43 16.10 15.03 31.24 91.68 51.14 -65.83 -34.49 3.28 0.00 96.72 0.09 0.11 3.08 94.38 2.33 0.00 0.00 0.00 107 Q H H 119.50 3.31 17.69 21.72 91.40 56.21 -67.74 -28.37 30.66 0.01 69.33 0.36 0.61 30.99 64.04 3.96 0.01 0.00 0.01 108 R H H 132.76 4.89 17.09 22.68 93.67 54.34 -76.01 -24.26 47.62 0.05 52.33 1.00 2.91 43.67 48.66 3.66 0.04 0.02 0.05 109 F C S 62.33 13.77 12.36 26.43 108.92 38.73 -121.73 73.75 96.37 0.73 2.90 29.28 64.35 2.61 2.38 0.47 0.00 0.17 0.73 110 P C C 63.31 9.53 13.23 23.97 110.79 149.10 -70.53 141.00 97.61 0.77 1.61 62.78 11.80 23.09 0.44 1.09 0.00 0.40 0.40 111 N C C 110.94 4.48 14.42 20.52 107.24 -103.17 -86.33 93.11 98.01 1.10 0.88 55.55 21.52 20.89 0.17 0.79 0.00 0.54 0.54 112 K C C 100.70 9.32 11.11 21.60 116.56 -161.44 -84.89 138.78 98.38 1.17 0.45 83.63 13.53 1.28 0.12 0.30 0.00 0.60 0.53 113 P C C 97.40 3.88 12.46 17.85 107.32 -115.82 -71.83 135.38 97.16 1.63 1.21 82.53 9.84 4.79 0.24 1.01 0.00 1.11 0.48 114 Y C C 144.81 5.45 9.79 16.99 118.55 -138.32 -108.95 133.00 83.63 13.81 2.56 66.53 10.37 5.95 0.75 1.97 0.00 10.11 4.33 115 L C C 113.38 4.47 9.13 15.58 112.98 -158.37 -99.04 121.17 84.88 13.95 1.18 81.93 1.41 1.79 0.40 0.54 0.00 11.04 2.89 116 S C C 76.60 4.06 11.33 17.18 119.33 -163.34 -110.83 144.75 99.53 0.45 0.02 99.47 0.12 0.05 0.01 0.00 0.00 0.33 0.02