# 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 M C C 105.00 8.20 11.97 21.21 114.98 -164.19 -92.29 134.43 99.91 0.07 0.02 99.83 0.09 0.03 0.01 0.00 0.00 0.03 0.01 1 S C C 64.46 5.48 10.65 17.78 116.51 -130.42 -86.30 146.86 91.23 0.75 8.01 87.73 0.99 3.37 6.02 1.14 0.00 0.34 0.41 2 P C C 103.30 3.15 11.06 15.81 102.59 -113.44 -72.83 -7.29 73.12 1.18 25.70 48.36 11.82 12.43 20.46 5.73 0.00 0.52 0.67 3 L C C 99.62 6.15 10.70 18.22 106.73 59.80 -84.40 76.03 61.37 1.18 37.44 36.65 13.25 12.01 30.68 6.26 0.01 0.49 0.66 4 S C C 52.01 6.18 13.05 20.67 110.07 -124.33 -80.93 161.80 56.52 1.03 42.45 42.11 7.69 6.66 38.47 4.11 0.00 0.42 0.53 5 E H H 112.89 5.13 16.06 22.27 94.51 -106.23 -64.83 -35.51 7.81 0.06 92.13 3.95 1.76 2.22 91.37 0.66 0.00 0.02 0.03 6 Y H H 84.12 11.55 16.22 28.01 92.56 52.64 -65.51 -40.77 2.41 0.02 97.58 0.82 0.34 1.13 97.33 0.36 0.00 0.01 0.01 7 A H H 32.27 10.03 16.81 28.14 91.79 51.21 -63.84 -40.83 1.02 0.01 98.97 0.38 0.11 0.46 98.78 0.26 0.00 0.00 0.00 8 L H H 77.10 5.32 20.39 26.20 91.74 50.78 -64.72 -41.09 0.46 0.00 99.53 0.17 0.05 0.20 99.46 0.12 0.00 0.00 0.00 9 R H H 80.19 10.99 20.50 31.61 91.65 50.16 -64.79 -41.49 0.47 0.00 99.53 0.12 0.03 0.25 99.52 0.08 0.00 0.00 0.00 10 M H H 42.32 16.29 19.70 35.46 92.11 50.32 -64.26 -41.27 0.42 0.00 99.58 0.08 0.02 0.23 99.59 0.07 0.00 0.00 0.00 11 S H H 41.98 10.06 21.93 32.22 91.78 51.45 -64.28 -41.00 0.67 0.00 99.33 0.12 0.04 0.39 99.37 0.08 0.00 0.00 0.00 12 R H H 104.63 7.18 24.01 31.38 91.98 49.80 -65.42 -41.50 0.61 0.00 99.39 0.07 0.03 0.38 99.46 0.06 0.00 0.00 0.00 13 L H H 25.49 15.64 21.23 37.01 91.91 50.23 -64.29 -42.39 0.46 0.00 99.54 0.08 0.03 0.26 99.56 0.07 0.00 0.00 0.00 14 S H H 18.53 15.47 19.74 35.50 91.68 51.28 -63.37 -41.36 0.46 0.00 99.54 0.08 0.03 0.26 99.55 0.08 0.00 0.00 0.00 15 A H H 32.53 8.60 19.72 29.52 91.82 51.41 -64.52 -40.80 0.34 0.00 99.66 0.03 0.01 0.24 99.57 0.14 0.00 0.00 0.00 16 R H H 114.52 7.63 21.47 29.32 92.47 48.77 -66.83 -40.00 0.49 0.00 99.51 0.02 0.01 0.44 99.31 0.22 0.00 0.00 0.00 17 I H H 35.11 17.66 18.00 35.07 96.55 40.61 -76.72 -40.00 1.67 0.00 98.33 0.03 0.05 1.64 98.06 0.21 0.00 0.00 0.00 18 F H H 63.05 12.74 17.03 30.32 99.38 27.98 -102.22 -9.54 10.54 0.03 89.43 0.56 1.16 8.70 89.27 0.27 0.02 0.00 0.02 19 G C S 45.64 5.68 17.60 24.21 95.42 -123.83 75.43 9.82 98.63 0.28 1.09 22.97 40.80 34.94 0.44 0.58 0.00 0.13 0.14 20 E C S 98.86 4.89 17.26 23.37 133.03 80.64 -133.63 155.43 96.87 1.94 1.18 35.87 56.85 4.30 0.48 0.61 0.00 0.87 1.02 21 V C C 72.86 10.88 12.76 24.34 114.91 -112.82 -88.10 132.42 95.89 2.66 1.45 87.67 6.31 1.73 0.62 0.74 0.00 1.28 1.65 22 A C C 56.98 9.39 12.85 23.15 101.89 -151.17 -79.41 -24.37 96.65 1.67 1.68 53.36 37.84 5.59 0.54 1.08 0.00 0.76 0.83 23 R C S 155.03 3.19 14.56 18.91 117.82 6.04 -117.79 124.42 96.69 1.67 1.64 24.87 65.20 6.78 0.49 1.00 0.00 0.78 0.87 24 S C C 68.49 6.03 12.42 19.89 109.65 -85.12 -72.78 133.57 97.10 0.85 2.06 69.54 17.57 9.87 0.54 1.57 0.00 0.42 0.50 25 T C C 85.18 6.87 11.10 19.37 106.98 -160.90 -96.46 31.85 96.54 1.19 2.26 70.58 19.75 6.08 1.02 1.14 0.00 0.43 1.01 26 D C C 71.73 6.24 12.05 19.89 114.39 129.70 -88.64 131.88 95.15 0.72 4.13 74.76 17.55 2.54 3.43 0.83 0.00 0.22 0.68 27 S H H 79.50 2.95 14.21 18.33 94.18 -137.12 -64.94 -32.22 23.79 0.17 76.04 12.71 5.23 6.43 73.23 2.26 0.01 0.06 0.09 28 K H H 112.66 4.89 15.94 21.76 92.93 55.46 -66.36 -38.85 12.41 0.08 87.51 5.19 1.80 5.19 85.58 2.16 0.01 0.04 0.04 29 S H H 23.58 13.62 13.18 27.56 92.72 52.06 -65.78 -38.86 7.57 0.08 92.35 4.06 0.98 2.62 90.17 2.10 0.00 0.04 0.03 30 M H H 84.39 6.93 17.24 25.21 92.36 53.40 -64.85 -39.10 2.17 0.03 97.81 1.19 0.29 0.73 96.87 0.90 0.00 0.01 0.00 31 K H H 112.73 3.34 19.93 23.23 92.46 52.63 -65.68 -40.92 1.35 0.03 98.62 0.63 0.17 0.57 98.12 0.48 0.00 0.02 0.01 32 V H H 37.69 12.08 17.50 30.31 92.32 50.10 -64.72 -43.09 1.00 0.03 98.97 0.39 0.11 0.47 98.61 0.40 0.00 0.02 0.00 33 V H H 38.13 12.62 16.72 30.13 91.94 50.07 -63.93 -42.13 1.04 0.03 98.93 0.38 0.11 0.50 98.55 0.44 0.00 0.02 0.00 34 S H H 58.87 4.09 19.70 24.17 92.08 51.37 -64.98 -39.80 2.50 0.04 97.46 0.61 0.23 1.50 96.62 1.00 0.01 0.02 0.01 35 L H H 67.48 8.01 16.66 25.80 92.56 51.34 -67.12 -37.20 5.02 0.03 94.94 0.72 0.42 3.58 93.56 1.68 0.01 0.01 0.01 36 F H H 71.09 13.25 14.03 27.44 94.54 50.22 -77.47 -20.20 14.45 0.11 85.44 2.67 1.78 9.85 83.49 2.08 0.03 0.04 0.06 37 S H H 61.70 7.14 15.26 23.35 98.10 65.86 -78.09 -14.87 42.58 0.41 57.02 8.39 6.19 28.10 54.20 2.66 0.05 0.15 0.26 38 E C H 110.32 4.56 14.52 20.38 112.01 78.09 -87.83 141.61 57.91 0.61 41.48 13.27 20.76 23.88 38.42 3.00 0.06 0.20 0.41 39 Q C H 95.67 5.97 14.37 21.61 114.87 -100.25 -75.59 141.63 64.98 0.69 34.33 28.15 25.18 11.72 30.19 4.08 0.02 0.23 0.44 40 P C C 48.78 9.03 12.27 22.98 105.12 -102.06 -67.10 127.87 62.04 1.05 36.90 46.52 4.70 11.07 29.44 7.12 0.00 0.47 0.68 41 L H H 82.30 8.54 11.32 20.97 95.41 -124.71 -65.36 -30.55 44.31 1.08 54.61 8.85 6.93 27.80 34.66 20.21 0.28 0.53 0.75 42 A H T 79.40 2.37 12.77 16.00 95.08 55.76 -71.20 -25.81 47.36 0.36 52.28 3.44 5.58 36.00 33.69 20.65 0.15 0.17 0.31 43 K C T 140.34 2.39 12.61 15.75 99.34 45.62 -87.16 -14.66 52.78 0.62 46.61 5.25 9.82 36.60 29.97 17.29 0.20 0.27 0.58 44 K C C 84.98 8.04 9.40 18.73 109.63 49.23 -118.56 85.20 91.63 0.56 7.81 75.72 11.60 4.26 5.73 1.94 0.00 0.18 0.57 45 K H G 133.18 3.62 12.68 18.07 94.82 174.44 -65.95 -29.77 35.49 0.25 64.26 5.10 4.00 24.29 27.24 39.07 0.02 0.12 0.15 46 E H G 118.06 3.65 13.73 18.52 93.62 62.56 -71.72 -25.10 33.39 0.34 66.26 3.69 3.49 23.53 29.88 38.99 0.06 0.18 0.19 47 T H G 45.65 11.08 11.76 23.71 98.40 53.28 -84.74 -24.76 26.18 0.67 73.15 6.41 3.89 14.38 31.72 42.93 0.04 0.39 0.24 48 Y H G 99.85 10.04 12.92 23.68 99.77 65.37 -77.99 -21.03 39.57 1.25 59.19 12.57 6.93 19.16 27.06 32.92 0.06 0.62 0.68 49 D C G 95.82 4.14 16.74 21.67 99.46 62.60 -86.47 9.31 56.81 1.07 42.13 19.20 8.70 28.78 13.00 29.10 0.02 0.51 0.68 50 W C C 107.16 10.34 14.07 25.15 99.68 108.93 -86.62 -4.87 72.13 1.77 26.10 36.48 18.18 18.21 8.63 16.38 0.01 0.72 1.38 51 Y C C 94.35 11.06 13.17 25.04 117.08 82.18 -107.81 126.92 95.33 1.50 3.17 46.19 44.79 4.37 1.73 1.16 0.00 0.47 1.28 52 P C C 51.02 10.44 13.19 24.81 115.62 -107.66 -70.58 152.10 97.90 0.59 1.50 74.86 19.80 3.31 0.73 0.63 0.00 0.23 0.45 53 N C C 88.45 4.44 15.80 21.06 111.86 -100.41 -68.08 143.71 95.98 1.18 2.84 92.00 2.93 1.11 2.13 0.45 0.00 0.31 1.08 54 H H H 113.05 7.18 11.58 20.20 94.30 -120.37 -61.89 -35.82 9.29 0.06 90.65 2.82 1.80 4.95 89.09 1.28 0.02 0.02 0.04 55 N H H 113.40 1.61 14.92 16.33 94.02 54.76 -68.08 -31.82 6.68 0.04 93.28 1.19 0.76 4.65 92.13 1.24 0.01 0.02 0.02 56 T H H 61.57 5.22 14.66 21.09 94.34 49.15 -69.79 -37.63 3.34 0.04 96.63 1.01 0.36 1.89 95.66 1.04 0.00 0.02 0.01 57 Y H H 62.97 12.96 12.74 26.23 92.72 53.73 -64.40 -41.94 0.83 0.01 99.17 0.26 0.08 0.38 99.07 0.22 0.00 0.00 0.00 58 F H H 113.53 4.42 17.07 22.38 92.20 51.43 -64.35 -40.59 0.29 0.00 99.71 0.06 0.02 0.15 99.68 0.10 0.00 0.00 0.00 59 A H H 58.36 2.56 18.40 20.59 91.59 50.43 -64.48 -41.36 0.27 0.00 99.73 0.03 0.01 0.17 99.67 0.11 0.00 0.00 0.00 60 L H H 51.61 9.84 16.66 27.60 92.17 49.20 -65.26 -41.49 0.39 0.00 99.61 0.05 0.02 0.27 99.52 0.15 0.00 0.00 0.00 61 M H H 50.23 12.64 15.63 28.97 91.95 50.73 -64.24 -40.73 0.51 0.00 99.48 0.05 0.03 0.35 99.33 0.24 0.00 0.00 0.00 62 G H H 33.52 3.47 18.36 22.21 91.72 51.85 -63.52 -41.41 1.61 0.00 98.39 0.10 0.08 1.33 97.91 0.58 0.00 0.00 0.00 63 N H H 81.43 3.42 17.99 21.52 92.34 49.35 -66.20 -40.25 2.50 0.00 97.50 0.16 0.17 2.10 96.60 0.96 0.00 0.00 0.00 64 L H H 34.12 11.84 13.14 26.35 92.51 50.15 -67.43 -39.34 2.51 0.02 97.47 0.32 0.24 1.81 93.80 3.81 0.01 0.01 0.01 65 R H H 110.88 8.02 13.59 22.80 91.82 55.09 -62.78 -40.85 2.75 0.02 97.24 0.21 0.14 2.11 88.00 9.52 0.00 0.01 0.00 66 F H H 163.07 1.21 14.99 15.78 90.99 53.27 -65.12 -29.07 8.55 0.02 91.44 0.19 0.25 8.33 81.26 9.92 0.02 0.01 0.01 67 L C T 97.71 4.24 13.03 18.61 92.51 53.06 -88.14 -1.92 71.42 0.04 28.54 0.29 1.09 72.54 20.30 5.72 0.01 0.01 0.05 68 G C T 47.80 3.53 14.91 19.60 95.24 -109.46 81.39 12.13 99.57 0.01 0.42 0.58 1.03 98.13 0.19 0.06 0.00 0.00 0.00 69 L C C 63.61 9.78 13.24 24.29 97.15 126.55 -82.30 -20.12 97.04 1.27 1.69 57.65 31.85 7.42 0.51 1.15 0.00 0.50 0.90 70 Y C C 70.45 13.60 11.52 25.42 121.44 49.19 -118.28 135.68 90.24 6.44 3.32 48.53 31.16 10.33 1.11 2.05 0.00 2.38 4.43 71 R C C 136.48 5.45 16.48 22.96 107.10 -166.90 -101.23 1.86 94.23 3.07 2.71 60.55 28.01 5.71 1.17 1.47 0.00 1.35 1.74 72 D C C 66.81 7.86 14.72 23.77 108.92 36.32 -101.38 100.70 93.09 1.57 5.33 70.20 16.60 6.09 3.46 1.83 0.00 0.61 1.21 73 E H H 87.30 9.51 14.32 25.05 94.59 -159.12 -66.38 -32.52 35.09 0.42 64.50 10.98 6.07 17.75 49.73 14.97 0.04 0.19 0.25 74 H H H 92.64 6.84 15.31 23.31 92.76 55.48 -66.25 -37.21 24.66 0.23 75.11 5.43 3.47 14.62 60.29 15.88 0.05 0.12 0.13 75 Q H H 88.29 3.75 16.66 21.13 92.43 52.14 -66.07 -39.29 17.81 0.24 81.95 4.90 2.80 9.38 66.58 16.06 0.04 0.13 0.10 76 D H H 55.49 6.41 15.32 23.33 92.97 50.34 -66.08 -39.86 21.43 0.24 78.32 8.57 3.14 10.02 70.79 7.21 0.02 0.12 0.13 77 F H H 64.70 9.18 14.97 25.68 92.76 51.84 -65.38 -41.60 5.03 0.03 94.94 2.44 0.70 1.90 93.79 1.14 0.00 0.01 0.01 78 K H H 103.27 4.09 17.91 22.63 91.88 51.04 -63.99 -41.65 1.10 0.00 98.90 0.38 0.12 0.50 98.61 0.38 0.00 0.00 0.00 79 D H H 68.04 3.51 18.11 22.06 91.80 49.69 -64.50 -41.19 0.71 0.00 99.29 0.21 0.07 0.35 99.05 0.32 0.00 0.00 0.00 80 E H H 67.85 7.29 16.76 25.52 92.03 50.47 -64.48 -41.19 0.50 0.00 99.50 0.11 0.04 0.28 99.40 0.18 0.00 0.00 0.00 81 Q H H 68.69 8.12 16.66 26.03 91.99 50.63 -64.91 -40.95 0.59 0.00 99.41 0.09 0.03 0.37 99.40 0.12 0.00 0.00 0.00 82 R H H 121.59 3.62 18.43 22.46 91.79 50.36 -64.27 -41.21 0.22 0.00 99.77 0.04 0.01 0.12 99.79 0.05 0.00 0.00 0.00 83 R H H 109.81 3.95 18.19 22.61 91.88 50.23 -64.39 -41.56 0.15 0.00 99.85 0.02 0.01 0.08 99.85 0.04 0.00 0.00 0.00 84 L H H 54.16 7.14 15.97 24.74 91.84 50.37 -64.43 -41.59 0.13 0.00 99.86 0.01 0.01 0.08 99.85 0.05 0.00 0.00 0.00 85 K H H 70.24 6.13 14.73 22.72 91.91 50.68 -64.12 -41.17 0.26 0.00 99.74 0.03 0.02 0.18 99.67 0.11 0.00 0.00 0.00 86 K H H 116.17 3.08 15.14 19.03 92.12 50.38 -64.94 -40.39 0.76 0.00 99.24 0.05 0.03 0.63 98.95 0.34 0.00 0.00 0.00 87 L H H 102.13 4.38 13.84 19.35 91.81 51.63 -67.59 -31.81 5.28 0.01 94.71 0.11 0.15 5.24 94.09 0.39 0.01 0.00 0.00 88 R C T 134.41 4.12 12.66 17.98 93.45 49.07 -88.94 -1.73 77.39 0.03 22.58 0.31 1.32 74.44 23.29 0.60 0.00 0.01 0.03 89 G C T 57.83 1.79 12.53 15.22 96.34 -108.39 79.40 13.53 99.67 0.02 0.31 1.48 2.75 95.55 0.15 0.06 0.00 0.01 0.01 90 K C C 127.95 3.48 10.81 15.81 101.15 125.58 -90.78 3.12 98.94 0.53 0.53 60.88 35.42 2.58 0.18 0.31 0.00 0.18 0.46 91 G C S 39.58 3.53 14.14 18.78 131.38 -12.73 133.97 -173.48 98.75 1.00 0.24 43.92 53.16 1.61 0.06 0.16 0.00 0.30 0.79 92 K C C 145.88 2.89 14.52 18.81 116.92 -66.26 -86.63 139.06 99.59 0.34 0.07 91.27 8.19 0.16 0.02 0.03 0.00 0.14 0.19 93 P C C 55.04 12.41 8.77 21.54 115.52 -108.12 -65.95 149.60 98.81 0.66 0.53 95.41 2.69 0.71 0.17 0.25 0.00 0.21 0.55 94 R C C 158.42 2.37 13.47 16.89 114.04 -109.41 -75.29 147.72 96.90 1.53 1.56 86.89 7.14 2.35 0.51 0.97 0.00 0.42 1.71 95 K C T 158.57 2.08 11.17 14.68 108.75 -88.40 -64.24 136.09 91.95 1.43 6.62 20.25 23.54 48.27 1.86 4.35 0.00 0.60 1.12 96 G C T 54.21 2.46 12.33 15.64 97.62 18.54 84.12 -3.53 91.88 0.92 7.20 25.03 20.15 46.90 2.52 4.33 0.00 0.38 0.69 97 E C C 107.25 4.75 10.80 17.17 100.47 103.36 -79.19 -19.66 70.79 1.06 28.15 27.19 22.92 21.90 18.24 8.39 0.02 0.35 0.98 98 G C H 38.11 5.32 12.40 19.07 107.64 35.40 30.46 -95.91 62.03 0.83 37.14 20.94 17.71 24.78 25.24 10.32 0.04 0.32 0.64 99 K H H 130.49 2.66 13.31 16.66 96.19 24.28 -69.33 -36.09 46.24 1.00 52.75 21.54 12.10 14.23 39.58 11.52 0.04 0.44 0.56 100 R H H 135.20 3.02 13.07 17.05 95.48 53.48 -69.67 -34.87 42.76 1.32 55.92 23.18 9.68 11.85 43.80 10.18 0.04 0.62 0.65 101 A H H 44.71 7.04 10.11 19.01 95.78 57.49 -70.94 -32.71 44.98 1.19 53.83 27.48 8.39 10.29 43.27 9.42 0.02 0.56 0.56 102 T C H 82.43 4.14 10.85 16.56 97.84 58.18 -75.51 -23.79 52.63 1.25 46.12 29.19 10.62 13.65 36.65 8.65 0.02 0.58 0.63 103 K C C 145.54 2.17 9.84 13.29 101.70 62.71 -79.89 -8.76 64.02 1.44 34.54 33.14 13.72 17.63 26.56 7.50 0.02 0.64 0.79 104 K C C 143.92 2.69 8.42 12.88 107.71 87.00 -84.27 106.59 81.28 0.99 17.73 63.09 3.48 14.87 13.83 3.64 0.00 0.44 0.66 105 K C C 148.94 2.81 11.03 15.40 109.21 -139.00 -83.68 113.56 99.91 0.03 0.05 99.73 0.11 0.10 0.03 0.00 0.00 0.02 0.01