# 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 53.41 9.31 20.71 30.21 113.50 -155.05 -93.55 126.30 99.64 0.22 0.14 99.53 0.15 0.09 0.07 0.01 0.00 0.08 0.07 1 L H G 18.78 22.75 12.68 34.41 94.82 -133.25 -70.82 -23.68 33.48 0.53 66.00 26.61 1.95 6.78 28.38 35.73 0.00 0.32 0.22 2 R H G 122.95 10.48 14.76 25.88 92.02 71.66 -62.72 -31.73 16.71 0.34 82.95 3.43 2.17 10.46 25.51 58.10 0.01 0.23 0.10 3 D H G 112.33 1.94 18.84 20.59 92.39 57.77 -74.79 -15.96 19.26 0.17 80.57 2.03 2.05 14.00 23.95 57.79 0.01 0.10 0.07 4 T H G 48.62 12.85 15.84 28.81 99.16 47.35 -93.39 -18.87 37.05 0.40 62.55 3.49 5.26 26.29 26.12 38.32 0.06 0.20 0.27 5 I C S 13.06 22.64 10.24 32.33 116.70 64.66 -107.95 122.45 99.20 0.71 0.08 15.67 83.57 0.12 0.04 0.01 0.00 0.15 0.44 6 P C C 59.80 4.56 19.61 24.83 114.27 -111.03 -65.34 144.80 99.45 0.25 0.30 99.17 0.31 0.12 0.20 0.02 0.00 0.08 0.10 7 D H H 88.52 9.84 13.48 24.27 92.56 -118.29 -58.11 -37.00 6.91 0.03 93.06 1.18 0.94 4.57 85.86 7.41 0.01 0.01 0.01 8 C H H 83.34 1.99 18.52 19.83 92.07 56.86 -64.31 -38.29 3.85 0.02 96.13 0.37 0.32 2.90 87.71 8.69 0.00 0.01 0.00 9 A H H 29.65 9.59 16.22 27.43 92.21 50.79 -66.19 -39.00 1.80 0.01 98.18 0.25 0.16 1.23 89.88 8.47 0.00 0.01 0.00 10 L H H 9.38 22.90 11.35 33.80 91.84 52.07 -65.60 -38.24 3.19 0.02 96.78 0.47 0.34 2.20 89.85 7.12 0.00 0.01 0.01 11 R H H 140.86 6.00 17.71 25.03 91.54 55.71 -67.19 -26.91 25.51 0.05 74.44 0.81 0.96 23.99 69.95 4.21 0.03 0.02 0.04 12 S C T 86.17 1.55 18.49 19.17 93.89 54.18 -84.31 -11.31 60.55 0.08 39.37 1.74 2.39 55.66 36.81 3.28 0.01 0.03 0.06 13 Q C S 48.23 14.94 10.61 25.58 122.52 90.05 -91.22 151.22 98.55 0.66 0.79 32.33 65.28 0.97 0.63 0.14 0.00 0.18 0.46 14 T C C 73.55 3.26 22.47 24.77 117.94 -109.69 -75.74 156.09 93.39 6.23 0.38 91.69 1.25 0.13 0.30 0.04 0.00 1.12 5.47 15 L H H 31.32 21.05 12.80 33.31 91.93 -110.63 -58.44 -38.89 2.33 0.01 97.65 0.58 0.36 1.25 97.21 0.59 0.00 0.00 0.00 16 E H H 112.58 5.65 20.10 26.71 91.49 53.70 -63.20 -40.55 1.09 0.01 98.90 0.14 0.09 0.76 98.38 0.62 0.00 0.00 0.00 17 S H H 50.88 3.73 21.56 25.17 91.83 48.76 -65.32 -40.65 0.59 0.01 99.40 0.11 0.06 0.36 98.77 0.70 0.00 0.00 0.00 18 L H H 9.02 19.23 16.07 36.01 91.72 50.11 -64.06 -43.12 0.44 0.00 99.56 0.08 0.04 0.25 99.30 0.33 0.00 0.00 0.00 19 D H H 24.89 18.32 17.49 35.56 91.75 51.56 -63.00 -41.03 0.83 0.00 99.16 0.11 0.05 0.57 98.91 0.36 0.00 0.00 0.00 20 A H H 55.68 5.26 21.02 26.67 91.83 52.48 -64.91 -38.23 1.85 0.01 98.14 0.13 0.10 1.54 97.48 0.73 0.00 0.00 0.00 21 R H H 119.43 6.21 21.80 28.40 94.30 47.55 -71.38 -37.17 5.73 0.02 94.25 0.29 0.32 5.16 93.18 1.00 0.02 0.01 0.01 22 Y H H 25.38 20.04 17.58 37.04 99.79 35.79 -88.46 -35.39 17.30 0.15 82.55 1.24 1.82 14.61 80.75 1.34 0.10 0.05 0.09 23 V C H 29.11 17.54 16.67 33.81 102.83 42.59 -97.24 -5.67 49.30 3.07 47.62 12.31 16.11 23.66 41.94 2.60 0.45 1.07 1.86 24 S C C 54.11 7.98 16.19 25.04 106.00 96.24 -81.95 81.27 77.78 3.63 18.59 47.42 10.78 19.47 14.35 4.34 0.02 1.73 1.87 25 R C C 135.19 7.38 12.46 20.98 104.65 -157.28 -82.54 41.19 79.16 4.45 16.39 34.58 20.12 25.68 7.93 7.26 0.05 2.01 2.36 26 D C T 108.35 2.99 13.95 17.75 100.72 53.99 -80.30 29.67 87.41 1.73 10.87 29.27 22.63 36.30 3.34 6.69 0.00 0.77 0.99 27 G C T 47.05 6.38 12.63 20.14 100.20 -92.40 77.19 5.89 90.69 0.90 8.41 26.22 28.14 36.55 1.92 6.21 0.00 0.40 0.56 28 A C C 61.45 6.20 13.58 21.17 109.91 119.28 -84.63 117.65 87.24 2.17 10.59 44.57 26.50 16.40 3.59 6.62 0.00 0.92 1.39 29 H C C 106.06 9.49 13.72 23.72 105.70 -126.61 -88.99 31.87 79.34 3.34 17.32 46.00 22.01 11.61 9.06 7.94 0.01 1.59 1.78 30 D C C 81.47 8.15 17.17 25.90 109.37 76.68 -88.38 99.80 72.99 4.04 22.98 46.18 15.38 11.39 12.84 10.29 0.01 2.31 1.59 31 A C C 38.58 14.32 16.19 30.29 107.08 122.69 -89.32 65.42 62.47 8.06 29.47 44.91 8.96 8.50 17.64 12.17 0.03 5.46 2.32 32 A C C 37.87 13.11 19.43 32.41 105.36 132.18 -79.71 27.67 54.09 13.23 32.68 35.24 11.05 8.17 20.99 11.91 0.10 10.10 2.44 33 V C C 31.27 17.57 18.17 35.19 105.55 63.30 -86.45 39.56 43.76 24.74 31.51 31.06 6.87 5.98 21.96 9.96 0.14 20.09 3.94 34 W C C 80.33 13.29 21.74 34.60 104.75 104.29 -88.01 12.40 47.17 21.36 31.47 34.97 6.71 5.26 21.44 10.40 0.07 18.18 2.98 35 F H C 26.19 21.46 17.24 37.52 99.21 81.38 -80.27 -21.08 39.49 10.46 50.06 27.93 6.16 6.30 25.03 24.68 0.04 8.34 1.53 36 E H G 79.13 12.91 18.98 31.38 94.98 71.60 -67.67 -34.50 27.48 4.07 68.45 12.00 5.39 10.89 23.91 44.01 0.04 3.08 0.67 37 D H G 88.33 6.71 20.60 27.72 96.18 53.65 -77.85 -10.69 35.20 2.57 62.23 11.45 6.20 17.48 19.34 43.09 0.04 1.76 0.63 38 M C G 48.27 16.43 16.86 32.68 98.26 61.88 -88.38 -10.22 50.66 3.25 46.09 20.38 12.27 19.45 14.59 30.00 0.10 1.64 1.57 39 T C S 26.21 19.49 14.06 33.02 117.08 90.83 -90.99 137.18 97.33 1.46 1.20 32.00 64.52 0.93 0.95 0.23 0.00 0.44 0.93 40 P C C 39.25 10.90 15.61 27.95 112.65 -105.47 -66.53 146.54 95.12 0.66 4.22 90.08 3.63 1.87 2.85 0.90 0.00 0.25 0.42 41 A H G 75.28 4.31 15.85 21.50 93.39 -115.39 -60.82 -32.93 37.65 0.53 61.82 6.44 5.95 23.27 28.02 35.70 0.04 0.28 0.30 42 E H G 106.41 5.98 16.12 23.16 92.48 58.17 -69.14 -26.59 35.20 0.73 64.07 5.46 4.71 22.66 29.29 37.06 0.07 0.41 0.34 43 L H G 32.14 18.00 12.30 29.69 96.69 51.87 -82.56 -15.10 26.06 1.39 72.55 10.02 4.77 11.02 31.15 41.73 0.04 0.81 0.46 44 E H H 91.90 11.12 15.29 26.75 94.52 77.96 -64.07 -28.11 39.36 2.51 58.13 15.89 6.05 16.85 30.19 28.44 0.07 1.45 1.04 45 V C T 88.25 5.88 18.04 24.35 95.64 58.11 -74.71 -26.81 52.45 1.47 46.07 7.29 7.75 35.88 21.34 25.91 0.17 0.85 0.80 46 V C T 59.09 12.23 17.46 29.44 100.42 44.93 -88.57 -28.49 58.33 2.15 39.53 7.62 11.28 38.81 19.00 20.57 0.26 1.23 1.22 47 F C S 49.05 17.35 14.52 31.35 113.53 33.18 -119.72 97.63 98.10 1.12 0.77 31.01 66.23 1.08 0.40 0.23 0.00 0.39 0.66 48 P C C 54.67 12.37 17.12 29.97 100.89 -142.94 -72.20 -1.20 97.80 1.08 1.12 76.66 18.58 2.55 0.59 0.49 0.00 0.46 0.66 49 T C S 54.48 7.57 19.07 27.21 127.98 36.79 -112.38 165.99 89.48 6.81 3.71 38.86 48.46 1.66 3.16 0.56 0.01 1.16 6.13 50 T H H 74.65 8.78 16.14 25.81 92.33 -105.46 -61.16 -36.69 9.35 0.17 90.47 1.94 3.16 5.05 88.20 1.38 0.09 0.06 0.11 51 D H H 87.26 4.23 20.58 25.16 92.24 53.11 -65.14 -39.90 5.81 0.08 94.11 1.22 0.87 3.77 92.51 1.53 0.03 0.03 0.04 52 A H H 15.27 15.64 17.01 33.26 92.11 49.97 -65.51 -40.57 3.71 0.07 96.21 1.52 0.54 1.78 94.46 1.61 0.01 0.04 0.03 53 K H H 50.82 17.73 18.71 35.45 91.66 52.68 -62.59 -42.02 1.29 0.02 98.69 0.47 0.17 0.63 98.15 0.56 0.00 0.01 0.00 54 L H H 73.67 7.66 23.24 30.99 91.74 50.75 -64.75 -41.10 0.73 0.01 99.26 0.22 0.07 0.37 99.08 0.24 0.00 0.00 0.00 55 N H H 61.34 8.71 23.82 32.79 91.85 50.37 -65.32 -40.55 0.93 0.01 99.06 0.22 0.07 0.55 98.94 0.21 0.00 0.00 0.00 56 Y H H 14.06 22.35 20.26 42.06 91.51 50.53 -64.15 -43.22 0.68 0.00 99.32 0.12 0.05 0.44 99.22 0.17 0.00 0.00 0.00 57 L H H 36.36 16.80 22.55 38.57 91.38 50.39 -63.09 -42.14 0.48 0.00 99.51 0.09 0.04 0.29 99.48 0.10 0.00 0.00 0.00 58 S H H 50.19 5.20 25.80 31.03 91.47 50.48 -64.08 -42.05 0.81 0.00 99.19 0.13 0.05 0.52 99.19 0.11 0.00 0.00 0.00 59 R H H 55.06 14.31 23.86 37.80 91.88 49.47 -65.23 -41.76 0.77 0.00 99.23 0.09 0.05 0.54 99.19 0.13 0.00 0.00 0.00 60 T H H 6.97 22.90 19.84 42.48 91.68 50.88 -64.17 -42.34 0.77 0.00 99.23 0.09 0.05 0.52 99.23 0.11 0.00 0.00 0.00 61 Q H H 81.52 9.52 25.03 34.60 91.51 51.09 -63.40 -41.37 0.30 0.00 99.70 0.05 0.02 0.18 99.69 0.06 0.00 0.00 0.00 62 R H H 107.87 6.91 25.99 33.22 91.67 50.22 -64.80 -41.67 0.17 0.00 99.83 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 63 L H H 15.23 20.74 21.50 41.64 91.87 49.63 -64.66 -42.13 0.15 0.00 99.85 0.01 0.01 0.10 99.83 0.06 0.00 0.00 0.00 64 A H H 19.53 17.00 21.41 38.07 91.06 51.42 -62.93 -41.80 0.25 0.00 99.75 0.02 0.01 0.17 99.70 0.10 0.00 0.00 0.00 65 S H H 51.15 4.61 24.82 29.45 91.39 51.17 -64.03 -41.67 0.96 0.00 99.03 0.07 0.04 0.73 98.80 0.36 0.00 0.00 0.00 66 L H H 45.28 12.12 20.98 33.52 91.70 50.83 -64.76 -41.22 1.90 0.01 98.09 0.16 0.11 1.46 97.30 0.96 0.00 0.00 0.00 67 L H H 20.86 20.77 17.03 37.25 92.07 50.81 -65.80 -38.77 4.76 0.04 95.20 0.62 0.41 3.51 92.34 3.07 0.02 0.02 0.01 68 T H H 71.04 9.37 20.36 29.92 92.29 54.63 -68.69 -29.35 16.70 0.11 83.20 1.54 1.21 13.50 79.85 3.76 0.05 0.06 0.05 69 Y H H 137.85 5.27 19.84 25.42 97.86 51.50 -88.46 -5.75 36.97 0.52 62.51 5.87 4.88 26.31 59.01 3.34 0.09 0.22 0.28 70 A C H 36.69 15.04 13.76 28.51 105.51 86.97 -82.41 26.06 63.31 1.81 34.88 25.66 20.30 18.22 31.22 2.84 0.06 0.61 1.10 71 G C C 32.40 8.55 17.97 26.94 127.16 -119.24 112.75 174.57 85.94 1.98 12.08 47.84 21.54 16.89 6.20 5.53 0.00 0.90 1.11 72 P C C 78.97 7.36 17.66 25.61 111.71 -48.09 -71.90 142.98 85.10 2.74 12.16 53.43 14.44 17.33 4.03 8.04 0.00 1.54 1.20 73 I C C 62.43 14.96 12.25 26.98 113.36 -128.34 -88.14 129.96 78.20 10.19 11.62 50.01 14.92 13.09 4.46 7.05 0.02 5.76 4.69 74 K C C 117.79 6.09 15.83 23.24 117.90 -155.95 -101.54 133.49 79.32 13.57 7.11 50.06 20.65 8.21 3.19 3.88 0.03 6.48 7.50 75 A C C 50.39 7.87 12.20 21.63 117.28 -126.14 -85.53 143.74 94.02 4.57 1.41 72.34 18.92 2.74 0.53 0.87 0.00 2.57 2.02 76 P C T 90.95 5.39 11.29 18.30 100.32 -113.65 -66.55 -18.87 86.21 2.06 11.74 34.81 15.44 36.52 2.61 8.59 0.00 1.06 0.96 77 D C T 110.69 2.33 11.97 15.07 102.17 49.67 -90.35 23.86 82.84 2.30 14.86 25.57 19.66 38.26 3.33 10.74 0.01 1.05 1.38 78 D C C 88.10 5.86 9.58 16.83 107.19 96.46 -90.96 71.42 71.41 2.37 26.22 26.64 20.97 25.05 4.80 19.93 0.02 1.03 1.57 79 A C T 84.31 2.87 11.64 15.91 97.40 -104.50 -72.33 -12.35 74.34 1.54 24.12 19.55 17.43 38.38 4.87 18.01 0.02 0.72 1.02 80 A C T 70.21 4.67 12.07 18.15 104.63 68.80 -86.65 26.94 75.99 2.52 21.50 28.67 19.67 28.87 4.37 15.74 0.02 1.10 1.57 81 A C C 46.15 9.38 10.72 21.29 115.58 100.94 -83.54 140.88 87.56 3.21 9.23 54.68 24.53 8.17 3.02 6.11 0.00 1.32 2.16 82 P C C 77.75 6.86 13.73 21.83 109.29 -109.10 -71.40 141.77 87.45 3.44 9.11 53.93 15.83 17.52 2.47 6.74 0.00 1.79 1.72 83 Q C C 109.16 6.92 12.86 21.06 114.01 -136.02 -93.28 127.89 86.67 5.61 7.71 51.78 21.49 13.26 2.32 5.38 0.00 2.59 3.18 84 T C C 61.74 7.99 12.07 21.57 120.00 -157.84 -103.48 138.84 92.65 3.09 4.26 62.99 25.38 4.22 2.03 2.17 0.00 1.36 1.85 85 P C C 92.44 5.43 12.24 19.33 99.21 -117.59 -66.65 -20.96 81.91 1.66 16.43 41.16 16.48 24.74 5.22 10.71 0.00 0.82 0.87 86 D C C 111.64 2.69 14.17 17.71 99.55 58.95 -81.66 -5.56 79.01 1.52 19.46 30.61 22.13 27.32 6.73 11.61 0.01 0.68 0.92 87 T C C 72.30 8.49 13.02 22.42 106.12 76.84 -94.55 60.86 75.52 3.05 21.43 45.63 18.86 11.35 10.19 10.81 0.01 1.40 1.75 88 A C C 50.71 9.63 15.35 25.79 113.15 131.83 -86.47 141.27 77.70 5.27 17.02 56.19 14.10 7.01 12.15 5.25 0.01 2.33 2.96 89 C C C 31.86 15.65 14.09 29.75 108.81 -118.14 -82.61 116.38 80.69 3.94 15.37 66.89 8.14 5.07 12.90 3.04 0.00 1.64 2.33 90 V H H 76.91 6.24 21.46 28.29 95.12 -156.13 -66.47 -36.23 12.66 0.23 87.11 8.22 2.46 2.66 85.37 1.10 0.00 0.09 0.11 91 H H H 50.63 15.41 19.23 34.13 92.66 52.22 -65.10 -40.83 4.18 0.05 95.77 1.45 0.59 2.13 94.67 1.11 0.00 0.02 0.02 92 G H H 13.17 13.95 18.34 33.08 91.79 52.03 -64.12 -41.05 2.08 0.02 97.90 0.86 0.27 0.96 96.94 0.95 0.00 0.01 0.01 93 E H H 96.84 4.51 23.55 27.90 91.89 50.73 -65.36 -41.02 0.88 0.01 99.12 0.36 0.11 0.38 98.71 0.43 0.00 0.00 0.00 94 L H H 44.36 9.72 21.30 32.04 91.79 50.44 -64.16 -42.84 0.63 0.01 99.36 0.21 0.06 0.31 99.25 0.17 0.00 0.00 0.00 95 L H H 20.82 18.77 18.39 37.03 92.15 49.55 -64.26 -41.94 0.62 0.01 99.38 0.19 0.06 0.32 99.31 0.12 0.00 0.00 0.00 96 A H H 42.06 7.92 21.22 29.82 91.71 51.27 -63.55 -41.39 0.61 0.00 99.39 0.16 0.05 0.31 99.40 0.07 0.00 0.00 0.00 97 R H H 126.63 2.90 23.57 25.77 91.86 50.06 -65.11 -41.08 0.64 0.00 99.36 0.13 0.05 0.36 99.42 0.05 0.00 0.00 0.00 98 K H H 44.54 15.61 19.11 34.41 92.25 50.31 -65.10 -41.26 0.45 0.00 99.55 0.09 0.03 0.25 99.59 0.04 0.00 0.00 0.00 99 R H H 77.33 15.71 18.99 33.76 91.64 52.40 -62.25 -41.82 0.21 0.00 99.79 0.04 0.01 0.11 99.82 0.02 0.00 0.00 0.00 100 E H H 117.42 2.34 23.66 25.09 91.52 50.46 -64.25 -41.26 0.17 0.00 99.83 0.02 0.01 0.09 99.86 0.01 0.00 0.00 0.00 101 R H H 98.34 8.00 22.40 30.63 91.79 49.11 -64.81 -41.91 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.01 0.00 0.00 0.00 102 F H H 14.19 22.40 18.02 40.18 91.80 48.92 -64.16 -42.45 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 103 A H H 38.39 10.10 21.66 32.21 91.47 51.39 -62.84 -41.11 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 104 A H H 54.00 3.07 24.28 26.54 91.54 50.72 -64.14 -41.63 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 105 V H H 17.47 16.66 20.64 37.55 91.98 49.16 -64.14 -43.43 0.15 0.00 99.85 0.01 0.01 0.10 99.87 0.02 0.00 0.00 0.00 106 I H H 19.56 20.10 19.48 39.21 91.69 49.90 -63.25 -42.46 0.25 0.00 99.75 0.03 0.02 0.16 99.76 0.04 0.00 0.00 0.00 107 N H H 77.58 4.56 23.01 27.65 91.42 51.57 -63.80 -41.06 0.91 0.00 99.09 0.12 0.06 0.61 99.05 0.15 0.00 0.00 0.00 108 R H H 100.08 7.25 22.04 29.57 91.92 50.75 -65.14 -41.22 1.83 0.01 98.16 0.22 0.13 1.36 97.90 0.38 0.00 0.00 0.00 109 F H H 21.87 20.40 17.65 37.81 92.24 49.73 -65.87 -41.76 2.49 0.02 97.49 0.43 0.24 1.67 96.97 0.66 0.00 0.01 0.00 110 L H H 56.46 11.24 19.06 30.75 92.10 50.84 -64.70 -39.59 7.19 0.11 92.70 2.03 0.94 4.15 91.58 1.20 0.01 0.05 0.04 111 D H H 83.92 3.03 20.45 23.19 92.31 52.11 -66.98 -36.00 21.04 0.27 78.69 5.97 2.06 12.84 76.83 2.05 0.01 0.13 0.12 112 L H H 43.54 12.97 15.74 29.26 93.65 53.78 -68.66 -36.05 23.28 0.44 76.28 7.62 3.68 12.69 71.58 3.97 0.04 0.22 0.20 113 H H H 68.21 12.81 14.53 27.44 94.80 56.32 -73.43 -24.12 28.75 0.73 70.52 12.74 4.19 12.44 63.45 6.46 0.03 0.40 0.29 114 Q H H 107.35 3.78 15.26 19.94 96.14 61.98 -69.06 -24.17 39.55 1.53 58.92 14.74 5.47 19.53 49.66 9.08 0.06 0.95 0.51 115 I H H 90.58 6.58 13.04 20.84 97.23 64.88 -77.22 -26.28 44.65 3.53 51.82 18.67 6.79 20.31 43.67 7.08 0.12 2.25 1.10 116 L C C 79.15 9.86 9.94 20.37 100.88 60.52 -85.37 -3.03 59.88 3.57 36.54 40.98 2.39 16.15 33.24 3.66 0.01 2.03 1.53 117 R C C 162.13 3.59 14.17 19.21 102.17 117.39 -67.07 51.94 99.85 0.08 0.07 99.68 0.08 0.12 0.05 0.00 0.00 0.05 0.01