# 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 H C C 121.38 4.99 12.57 19.05 113.42 -159.83 -94.13 123.23 99.89 0.08 0.03 99.73 0.14 0.06 0.01 0.00 0.00 0.04 0.01 1 H C C 121.34 4.75 9.83 16.30 111.56 -159.10 -91.31 124.79 86.45 1.21 12.33 81.53 1.20 4.78 9.41 1.85 0.00 0.55 0.67 2 H C C 120.75 4.06 9.60 15.32 107.77 -158.03 -85.26 102.81 72.65 1.26 26.10 53.32 8.38 10.38 21.83 4.84 0.00 0.62 0.63 3 H C C 122.24 3.44 10.70 15.52 99.96 75.48 -76.02 -25.25 58.12 1.29 40.59 39.96 8.06 10.25 33.39 7.09 0.00 0.64 0.61 4 H H H 111.67 4.18 11.61 17.18 97.24 56.98 -71.84 -34.12 43.15 1.10 55.75 29.21 6.93 8.10 47.47 7.27 0.01 0.56 0.45 5 H H H 100.76 5.51 12.19 19.15 95.53 55.11 -70.17 -35.91 30.09 0.79 69.11 20.11 5.00 6.54 60.60 7.03 0.01 0.43 0.29 6 E H H 104.50 4.25 13.76 19.27 93.94 55.63 -67.00 -38.23 19.61 0.54 79.84 11.66 3.39 5.73 71.95 6.76 0.01 0.33 0.18 7 N H H 84.38 4.31 15.02 20.38 94.09 52.33 -67.53 -37.40 17.36 0.61 82.03 9.90 2.84 5.62 74.19 6.85 0.02 0.41 0.17 8 L H H 69.89 7.32 14.37 23.16 93.12 53.08 -66.94 -39.58 14.78 0.99 84.23 8.61 2.52 4.83 76.57 6.47 0.03 0.75 0.22 9 Y H H 104.28 7.19 15.63 23.99 93.18 51.76 -66.49 -39.54 16.01 1.87 82.13 9.82 2.75 4.98 75.21 5.34 0.04 1.52 0.35 10 F H H 100.04 6.02 16.39 23.50 93.29 51.76 -67.40 -38.71 20.08 2.20 77.72 12.18 3.33 6.23 71.61 4.43 0.04 1.70 0.47 11 Q H H 90.78 6.56 16.80 24.35 94.53 52.49 -69.12 -36.22 27.41 1.90 70.69 15.94 4.56 8.49 65.27 3.92 0.03 1.31 0.47 12 S H H 45.88 10.34 14.95 26.06 94.86 58.40 -69.01 -34.87 33.83 1.80 64.37 17.40 5.96 12.02 58.11 4.80 0.05 1.14 0.52 13 N H H 88.77 6.91 17.38 25.02 95.32 56.07 -71.30 -28.18 38.93 2.57 58.50 17.74 7.47 15.31 50.76 6.20 0.11 1.68 0.74 14 A H H 55.95 8.04 16.74 25.53 96.27 61.48 -73.60 -26.60 45.11 4.57 50.32 22.17 8.70 15.95 42.12 6.64 0.15 2.99 1.29 15 M C H 75.28 12.68 14.76 27.35 101.63 61.35 -85.96 0.12 52.29 8.47 39.24 27.26 10.81 15.82 32.00 6.03 0.21 5.37 2.51 16 S C C 56.42 9.47 16.57 26.50 108.52 86.97 -89.09 77.29 68.06 7.96 23.98 30.11 13.85 24.46 18.81 5.24 0.12 5.05 2.37 17 G C C 39.88 8.81 15.92 25.27 109.86 -101.90 82.41 4.83 84.06 6.04 9.90 35.28 21.93 28.06 4.63 4.53 0.02 3.80 1.74 18 R C C 137.08 7.15 16.95 24.85 106.91 71.86 -91.15 43.53 81.90 9.89 8.21 46.74 18.78 16.84 3.16 4.78 0.02 5.82 3.86 19 G C C 29.54 12.03 13.77 25.86 120.95 -138.91 85.90 168.66 86.46 7.98 5.56 50.11 19.96 16.62 1.50 4.11 0.00 4.80 2.89 20 K C C 143.35 4.26 16.88 22.26 108.05 -87.79 -86.99 98.79 84.52 8.38 7.09 39.54 20.54 25.28 1.72 5.16 0.01 4.73 3.03 21 G C C 46.80 6.08 15.82 22.83 108.00 10.22 83.78 -0.26 87.99 5.73 6.28 35.26 24.02 29.31 1.26 4.96 0.01 3.18 2.00 22 G C C 34.14 10.67 13.29 24.28 118.14 -125.25 68.02 164.73 86.66 6.58 6.76 44.41 24.88 17.46 1.41 5.60 0.01 3.51 2.73 23 K C C 140.32 4.18 16.92 22.20 109.72 -95.50 -92.45 93.85 81.62 9.71 8.67 40.46 21.80 20.08 2.13 6.45 0.02 5.18 3.89 24 G C C 35.59 9.60 14.33 24.36 117.77 -97.85 74.42 -169.42 83.76 7.81 8.43 39.40 22.77 22.28 2.03 6.32 0.01 4.27 2.92 25 L C C 90.11 9.80 13.98 24.17 106.26 -47.30 -89.55 40.88 80.04 10.04 9.92 38.98 21.61 20.42 3.13 6.36 0.04 5.13 4.33 26 G C C 39.37 6.38 14.44 21.91 118.26 -3.58 84.15 -157.55 81.33 6.57 12.09 34.19 26.60 21.63 4.41 6.97 0.03 3.29 2.89 27 K C T 155.35 2.43 15.00 18.37 105.42 -50.34 -77.32 74.54 75.87 3.38 20.74 19.27 21.77 35.61 10.48 9.31 0.07 1.66 1.83 28 G C T 48.72 4.33 15.25 20.37 102.58 13.46 66.73 -11.96 75.12 1.87 23.02 18.10 20.94 36.62 13.62 8.65 0.06 0.85 1.16 29 G C C 29.84 9.43 14.72 24.91 107.25 9.02 35.49 -68.75 60.91 2.27 36.81 28.94 18.23 15.49 26.98 8.13 0.07 0.94 1.24 30 A H H 42.60 11.64 13.74 25.79 99.89 0.57 -70.67 -34.83 37.73 3.00 59.27 20.53 9.52 10.80 48.25 8.02 0.13 1.66 1.09 31 K H H 122.88 4.30 18.17 23.15 96.25 53.02 -66.86 -36.16 28.15 4.01 67.84 17.00 5.76 8.27 57.17 7.88 0.11 2.74 1.07 32 R H H 115.33 6.51 18.13 25.35 94.68 53.53 -67.80 -38.50 22.00 3.02 74.98 14.42 3.99 6.02 66.37 6.28 0.05 2.16 0.71 33 H H H 51.33 16.22 15.48 31.26 93.78 52.48 -66.52 -39.91 17.70 1.82 80.48 12.13 2.93 4.57 74.41 4.24 0.03 1.28 0.42 34 R H H 99.76 12.00 18.01 29.78 93.17 54.54 -64.16 -40.20 11.17 0.96 87.86 7.19 1.76 3.27 83.48 3.38 0.02 0.71 0.19 35 K H H 110.42 4.63 20.69 25.26 93.98 51.41 -66.68 -39.66 8.89 1.12 89.99 5.16 1.41 3.16 85.50 3.63 0.03 0.92 0.19 36 I H H 49.39 11.17 17.77 29.82 93.94 50.10 -67.03 -41.32 8.38 1.22 90.40 4.51 1.27 3.23 85.95 3.76 0.03 1.06 0.18 37 L H H 35.75 17.43 15.38 32.31 93.81 50.81 -67.78 -38.91 10.88 1.10 88.03 5.54 1.74 4.46 82.68 4.43 0.04 0.87 0.23 38 R H H 120.32 8.87 18.23 27.42 94.49 53.90 -67.84 -35.75 16.10 0.84 83.06 5.84 2.64 8.47 76.65 5.50 0.08 0.57 0.25 39 D H H 91.25 4.21 19.11 23.73 95.80 50.29 -76.29 -26.90 26.99 0.64 72.37 6.45 4.17 17.04 64.87 6.68 0.14 0.37 0.28 40 N H H 66.54 11.67 17.39 29.00 100.92 42.97 -92.28 -3.08 43.21 1.02 55.77 11.96 6.42 25.73 47.10 7.61 0.12 0.55 0.51 41 I C C 30.65 20.78 12.57 31.92 100.80 73.56 -89.18 5.30 56.26 5.63 38.11 27.87 8.97 20.76 27.60 9.01 0.18 3.11 2.49 42 Q C T 117.19 5.22 18.70 25.33 106.04 118.87 -72.88 100.66 78.74 3.72 17.54 14.03 8.22 55.60 13.04 5.25 0.10 2.26 1.51 43 G C T 45.97 5.97 19.98 26.31 99.37 23.95 82.76 -3.09 89.76 1.81 8.42 14.39 12.82 63.00 3.88 4.09 0.01 1.19 0.62 44 I C C 20.70 22.40 10.96 32.63 114.86 112.16 -89.96 126.63 92.91 5.35 1.75 77.97 13.36 1.19 1.28 0.56 0.00 2.24 3.40 45 T C C 64.56 5.31 22.81 27.92 123.53 -147.80 -92.03 159.21 95.32 3.03 1.65 92.50 2.39 0.49 1.49 0.20 0.00 1.02 1.91 46 K H H 98.74 13.02 15.47 28.29 92.72 -105.91 -58.89 -39.85 2.86 0.02 97.12 0.76 0.57 1.32 96.98 0.35 0.00 0.01 0.00 47 P H H 73.76 3.17 21.33 24.14 91.75 52.72 -63.23 -39.39 1.51 0.01 98.48 0.29 0.15 0.93 98.20 0.42 0.00 0.00 0.00 48 A H H 21.94 11.43 18.52 31.35 92.05 50.63 -65.00 -41.16 0.57 0.01 99.42 0.14 0.06 0.30 99.13 0.37 0.00 0.00 0.00 49 I H H 9.90 22.28 15.84 38.09 92.01 49.93 -64.36 -42.50 0.39 0.01 99.60 0.10 0.05 0.19 99.52 0.15 0.00 0.00 0.00 50 R H H 107.96 8.60 21.52 30.32 91.60 50.88 -63.35 -41.26 0.70 0.01 99.28 0.17 0.07 0.37 99.26 0.11 0.00 0.01 0.00 51 R H H 116.61 3.57 22.92 26.04 91.91 49.92 -64.64 -41.95 1.08 0.03 98.89 0.23 0.13 0.64 98.82 0.16 0.00 0.01 0.01 52 L H H 25.60 14.62 17.64 33.08 92.19 50.18 -64.90 -41.77 1.83 0.08 98.10 0.45 0.25 1.09 97.75 0.39 0.01 0.04 0.02 53 A H H 21.07 15.90 14.62 30.78 92.30 51.39 -64.47 -39.62 4.37 0.09 95.53 0.88 0.39 2.98 94.70 0.96 0.01 0.05 0.02 54 R H H 162.38 2.38 18.24 21.11 92.30 51.38 -67.44 -34.31 12.44 0.14 87.43 1.18 0.98 10.28 86.13 1.26 0.05 0.07 0.06 55 R H H 147.24 3.57 16.06 20.32 95.99 53.24 -79.35 -12.90 46.20 0.25 53.55 1.95 3.66 39.76 52.32 1.98 0.08 0.10 0.16 56 G C T 41.26 8.51 14.61 23.65 100.75 -26.86 -86.02 4.99 75.17 0.26 24.57 3.77 8.72 61.13 23.97 2.09 0.02 0.10 0.20 57 G C C 42.80 6.15 16.72 23.62 101.99 -117.88 79.33 7.07 95.46 1.01 3.53 41.71 21.41 32.75 1.38 1.83 0.00 0.54 0.38 58 V C C 39.03 17.70 10.12 26.80 114.48 108.43 -92.14 127.04 86.22 8.73 5.05 74.75 7.93 3.29 2.26 2.83 0.00 6.10 2.84 59 K C C 151.49 2.37 18.91 21.67 101.04 -170.26 -89.73 -26.56 81.49 12.39 6.11 51.99 23.70 6.59 2.14 3.73 0.01 10.31 1.53 60 R C C 138.00 4.67 19.37 24.88 125.99 14.92 -132.60 138.55 58.24 34.16 7.60 43.00 10.28 5.69 3.02 4.56 0.03 30.50 2.93 61 I C C 39.81 20.13 10.59 29.41 117.71 -162.69 -110.87 126.26 53.78 41.25 4.97 46.67 4.24 1.49 3.83 1.70 0.01 34.44 7.62 62 S C C 56.60 5.08 18.07 23.80 124.49 -157.28 -108.77 162.34 77.19 17.92 4.89 69.49 4.83 2.15 4.09 1.15 0.00 16.37 1.92 63 G H H 45.75 4.14 17.64 22.19 104.06 -8.93 48.43 -84.14 36.80 1.07 62.13 7.14 11.68 19.96 55.38 4.62 0.25 0.52 0.45 64 L H H 96.59 4.37 17.38 22.26 93.87 17.26 -68.35 -35.28 21.26 0.48 78.26 3.84 3.62 14.71 72.65 4.54 0.18 0.26 0.21 65 I H H 38.29 13.86 16.08 30.49 92.10 52.86 -65.06 -41.69 12.00 0.61 87.39 4.22 1.94 6.83 82.18 4.15 0.07 0.42 0.18 66 Y H H 52.10 16.01 16.17 31.97 91.81 52.20 -63.38 -42.31 2.98 0.20 96.82 1.48 0.43 1.23 95.68 0.99 0.00 0.16 0.02 67 E H H 108.47 3.57 21.46 25.05 91.73 49.98 -64.67 -41.20 1.51 0.15 98.34 0.61 0.18 0.72 97.78 0.56 0.00 0.13 0.01 68 E H H 89.13 5.79 21.60 27.51 92.12 48.37 -65.92 -41.31 1.76 0.17 98.07 0.56 0.18 0.98 97.52 0.57 0.00 0.15 0.02 69 V H H 14.62 19.60 17.70 37.26 92.32 48.23 -65.41 -41.50 2.32 0.10 97.58 0.59 0.24 1.43 97.27 0.39 0.00 0.07 0.01 70 R H H 75.79 14.94 19.74 33.93 91.60 51.71 -62.25 -41.64 0.90 0.01 99.09 0.27 0.08 0.46 99.06 0.13 0.00 0.01 0.00 71 N H H 82.38 3.26 24.07 26.61 91.73 50.37 -64.60 -41.27 0.75 0.01 99.24 0.13 0.05 0.48 99.21 0.13 0.00 0.00 0.00 72 V H H 44.58 10.35 21.88 32.66 91.81 49.32 -64.77 -42.74 0.41 0.00 99.59 0.06 0.02 0.25 99.58 0.08 0.00 0.00 0.00 73 L H H 12.26 21.57 18.48 39.88 91.79 49.91 -64.42 -42.27 0.19 0.00 99.80 0.03 0.01 0.10 99.81 0.04 0.00 0.00 0.00 74 K H H 87.57 11.01 21.68 32.49 91.67 51.62 -62.99 -41.52 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 75 T H H 67.13 4.02 24.08 27.56 91.81 49.97 -64.55 -42.10 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 76 F H H 51.07 14.16 21.43 35.41 91.95 48.91 -65.45 -42.24 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 77 L H H 16.30 21.02 19.19 39.87 91.62 49.60 -65.19 -41.53 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 78 E H H 86.92 7.97 23.27 31.40 91.65 51.33 -63.29 -41.37 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 79 S H H 44.05 6.03 23.90 30.27 91.92 50.08 -65.57 -40.95 0.27 0.00 99.73 0.02 0.01 0.18 99.76 0.02 0.00 0.00 0.00 80 V H H 16.32 18.48 20.54 39.02 91.72 49.42 -64.96 -43.10 0.28 0.00 99.72 0.03 0.01 0.18 99.76 0.03 0.00 0.00 0.00 81 I H H 30.87 17.52 21.04 38.07 91.54 50.29 -63.60 -42.85 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 82 R H H 127.48 3.89 25.53 29.37 91.57 50.06 -63.67 -41.89 0.30 0.00 99.70 0.03 0.01 0.19 99.71 0.05 0.00 0.00 0.00 83 D H H 52.18 9.16 23.81 33.28 91.83 48.47 -65.63 -40.85 0.69 0.00 99.31 0.07 0.03 0.48 99.33 0.08 0.00 0.00 0.00 84 A H H 6.73 21.05 18.52 39.71 91.74 51.24 -63.82 -42.22 1.07 0.01 98.92 0.16 0.08 0.70 98.91 0.15 0.00 0.00 0.00 85 V H H 48.78 10.47 22.33 33.15 91.58 50.16 -64.04 -42.25 2.08 0.04 97.88 0.40 0.23 1.29 97.77 0.27 0.01 0.02 0.01 86 T H H 66.61 3.29 24.17 26.63 91.64 49.51 -64.23 -42.51 3.71 0.11 96.18 0.91 0.46 2.24 95.83 0.46 0.02 0.06 0.02 87 Y H H 46.79 13.04 19.08 32.79 92.50 48.87 -65.59 -41.49 4.66 0.20 95.14 1.34 0.71 2.74 94.04 0.99 0.03 0.11 0.05 88 T H H 19.41 16.20 14.83 31.54 92.06 51.21 -64.95 -40.15 6.60 0.20 93.20 2.16 0.88 3.58 91.72 1.46 0.02 0.12 0.05 89 E H H 121.94 2.82 19.37 22.30 92.46 50.93 -65.06 -39.35 11.20 0.13 88.67 1.79 1.16 7.99 87.34 1.57 0.03 0.07 0.04 90 H H H 122.23 3.20 17.32 20.69 93.89 47.18 -73.61 -28.81 20.79 0.19 79.02 2.50 2.57 15.65 77.60 1.45 0.06 0.07 0.10 91 A C H 34.10 13.49 10.32 23.85 98.38 60.55 -82.93 -6.49 62.10 0.80 37.10 16.01 13.02 31.79 36.37 2.01 0.04 0.27 0.48 92 K C T 172.98 0.99 16.89 16.83 96.11 -130.90 52.00 22.66 90.00 0.51 9.49 23.37 13.76 52.98 7.26 2.11 0.00 0.22 0.29 93 R C C 98.97 8.91 11.33 21.55 125.77 107.81 -112.46 148.96 90.82 1.38 7.79 50.54 23.84 16.65 4.22 3.32 0.00 0.59 0.84 94 K C S 153.65 3.08 16.02 20.35 96.93 -143.84 -82.07 -16.92 95.12 1.75 3.13 27.42 58.62 9.46 1.24 1.64 0.00 1.12 0.49 95 T C C 76.85 4.87 19.90 25.66 129.49 36.10 -133.01 144.80 72.05 24.57 3.38 42.68 24.24 6.19 1.57 2.06 0.01 19.66 3.60 96 V C C 17.64 22.09 12.16 33.89 119.09 -156.63 -112.43 129.70 66.12 32.86 1.03 59.68 5.57 0.35 0.95 0.29 0.00 24.13 9.03 97 T C C 53.41 6.50 24.46 31.05 125.43 -149.74 -94.49 164.39 83.19 16.13 0.68 83.04 1.27 0.16 0.64 0.09 0.00 12.74 2.05 98 S H H 36.52 16.99 16.71 33.42 91.20 -102.57 -58.15 -39.08 2.86 0.01 97.13 0.46 0.40 1.80 96.85 0.47 0.00 0.00 0.00 99 L H H 81.05 7.38 23.02 30.49 91.50 54.33 -63.95 -39.81 0.99 0.00 99.01 0.12 0.07 0.69 98.79 0.32 0.00 0.00 0.00 100 D H H 36.13 13.39 21.95 35.35 91.83 50.34 -65.16 -40.55 0.28 0.00 99.72 0.05 0.02 0.16 99.51 0.26 0.00 0.00 0.00 101 V H H 6.47 23.71 19.47 43.01 91.66 49.48 -64.64 -43.56 0.11 0.00 99.89 0.01 0.01 0.06 99.85 0.07 0.00 0.00 0.00 102 V H H 34.84 13.59 22.63 36.33 91.74 49.89 -63.54 -43.25 0.11 0.00 99.89 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 103 Y H H 87.16 5.70 24.95 31.02 91.65 49.08 -64.03 -42.30 0.18 0.00 99.82 0.02 0.01 0.12 99.80 0.06 0.00 0.00 0.00 104 A H H 8.83 15.32 18.95 35.69 91.57 50.49 -62.89 -43.15 0.40 0.00 99.60 0.04 0.02 0.28 99.54 0.12 0.00 0.00 0.00 105 L H H 17.17 17.98 16.55 34.93 91.81 49.85 -63.97 -41.94 1.21 0.00 98.79 0.17 0.09 0.82 98.54 0.38 0.00 0.00 0.00 106 K H H 121.55 5.16 18.39 24.52 91.73 50.66 -64.65 -40.07 3.19 0.01 96.80 0.37 0.21 2.36 96.14 0.91 0.00 0.01 0.00 107 R H H 145.09 3.92 16.94 21.94 92.13 51.31 -67.80 -31.84 10.71 0.05 89.24 0.69 0.67 9.16 88.40 1.02 0.02 0.02 0.02 108 Q C H 85.58 9.05 13.86 23.78 94.80 47.97 -88.13 -5.69 53.16 0.17 46.67 2.08 3.56 45.62 47.14 1.39 0.03 0.06 0.12 109 G C T 55.29 2.67 16.55 19.79 97.14 -111.81 80.14 12.90 97.06 0.27 2.67 17.58 8.69 71.17 1.67 0.67 0.00 0.13 0.10 110 R C C 103.34 9.45 13.43 23.98 122.26 127.17 -102.96 143.84 94.86 2.36 2.77 83.08 9.42 2.33 1.53 1.12 0.00 1.12 1.40 111 T C C 68.81 7.96 17.09 25.93 120.70 -138.54 -94.48 144.68 91.70 5.27 3.03 85.29 4.06 2.16 1.44 1.32 0.00 2.67 3.05 112 L C C 58.31 16.57 13.85 29.47 101.82 -126.92 -75.55 -17.33 82.82 7.08 10.10 31.93 25.83 26.09 2.65 6.54 0.05 3.25 3.66 113 Y C T 119.13 9.83 15.70 25.62 104.95 32.09 -88.22 61.73 85.43 5.10 9.47 13.88 25.39 46.32 2.33 6.76 0.04 2.82 2.45 114 G C C 50.50 4.67 15.34 21.04 102.08 -38.99 82.07 0.82 88.88 4.07 7.04 31.82 26.31 31.05 1.28 5.69 0.01 2.07 1.77 115 F C C 107.12 9.08 10.83 20.74 107.79 110.32 -94.04 66.46 89.59 6.64 3.77 61.76 14.06 13.40 1.12 2.54 0.00 3.16 3.97 116 G C C 50.55 4.17 13.38 19.06 110.54 -5.74 97.40 8.60 95.28 3.18 1.54 79.91 4.55 10.97 0.40 0.93 0.00 1.95 1.31 117 G C C 47.28 5.32 14.70 21.46 113.96 -73.76 93.76 -170.01 99.79 0.18 0.03 99.21 0.46 0.18 0.01 0.01 0.00 0.11 0.03