# 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 105.73 7.49 15.96 24.28 114.34 -160.22 -93.95 125.25 99.73 0.26 0.02 99.71 0.09 0.03 0.01 0.00 0.00 0.14 0.02 1 V C C 71.17 11.46 12.17 24.13 116.44 -150.49 -94.67 133.18 85.98 12.30 1.72 84.17 0.96 1.29 1.27 0.35 0.00 8.72 3.25 2 K C C 90.19 9.98 15.82 26.57 119.51 -153.17 -97.76 141.44 82.71 14.63 2.65 67.86 12.34 2.23 1.95 0.92 0.00 11.05 3.65 3 T C C 40.22 10.78 19.19 30.63 123.38 -128.52 -88.65 162.21 75.04 21.88 3.08 67.57 6.60 0.88 2.85 0.64 0.00 9.55 11.91 4 L H H 29.19 19.88 16.40 36.05 92.26 -108.50 -60.49 -36.46 8.45 0.37 91.17 2.97 1.65 4.23 78.09 12.65 0.04 0.28 0.09 5 A H H 32.09 13.85 18.57 32.60 91.65 59.15 -63.16 -36.78 4.66 0.14 95.20 0.87 0.54 2.96 80.06 15.40 0.01 0.13 0.02 6 D H H 66.12 7.68 21.05 29.30 92.33 53.45 -68.38 -30.42 3.61 0.13 96.26 0.70 0.41 2.25 80.70 15.79 0.01 0.13 0.01 7 Y H H 49.02 16.50 18.04 34.15 94.56 52.19 -73.35 -28.75 8.69 0.48 90.83 2.37 1.40 5.08 81.16 9.46 0.05 0.39 0.10 8 I H H 29.12 18.82 16.04 34.22 99.29 61.66 -78.72 -19.68 28.19 4.51 67.30 13.31 5.46 12.17 60.39 4.23 0.21 2.91 1.31 9 H H H 92.28 8.12 19.88 28.25 98.08 56.28 -75.50 -2.42 44.43 4.84 50.74 24.08 5.36 15.59 46.04 4.30 0.07 3.16 1.39 10 W C H 79.85 13.89 14.64 28.60 97.45 76.16 -74.67 -17.10 49.49 5.48 45.03 27.67 6.78 15.69 36.46 8.02 0.08 3.58 1.72 11 R C H 112.54 9.90 15.00 25.29 98.49 66.42 -79.12 -13.00 57.36 5.71 36.93 26.99 10.47 20.62 29.45 6.93 0.12 3.50 1.91 12 N C C 97.85 5.90 13.98 21.13 102.61 55.51 -90.92 23.16 73.68 3.92 22.40 35.19 18.53 20.56 16.45 5.54 0.05 1.97 1.71 13 K C C 108.10 7.03 11.45 20.07 117.28 121.37 -92.62 135.67 95.21 2.05 2.74 55.41 36.54 3.53 1.74 0.84 0.00 0.89 1.03 14 P C C 90.84 4.30 12.33 18.32 113.34 -104.97 -67.11 146.41 94.67 1.20 4.13 74.13 11.59 8.91 1.27 2.88 0.00 0.67 0.57 15 S C C 72.78 6.23 10.84 18.65 110.08 -106.03 -73.90 144.12 93.42 1.98 4.60 67.74 13.89 11.43 1.05 3.81 0.00 1.07 1.00 16 S C C 80.58 3.90 11.83 17.29 110.39 -139.86 -89.51 114.64 93.43 3.63 2.94 66.09 21.41 5.57 0.82 2.24 0.00 1.74 2.12 17 I C C 99.26 6.92 11.20 19.75 116.24 -153.79 -98.61 128.77 97.51 2.06 0.43 73.72 23.38 0.61 0.20 0.18 0.00 0.91 1.00 18 P C C 71.06 6.57 12.33 20.44 116.09 -113.33 -69.53 150.47 98.67 0.56 0.76 92.76 5.17 0.90 0.39 0.26 0.00 0.28 0.25 19 P C C 92.48 4.59 13.79 19.88 111.14 -102.98 -67.38 143.23 93.41 1.81 4.78 85.04 5.25 3.35 2.05 2.35 0.00 0.87 1.09 20 V C C 66.93 11.99 9.43 21.49 113.41 -137.27 -91.23 128.34 78.03 5.19 16.77 59.01 11.60 6.89 5.17 12.06 0.00 2.95 2.32 21 D C C 106.61 3.50 14.36 19.01 103.32 -151.21 -84.96 27.04 72.86 6.97 20.17 47.11 16.58 9.79 4.95 15.02 0.01 4.84 1.69 22 E C C 116.13 5.62 14.53 21.35 114.27 59.87 -99.79 127.14 64.11 15.56 20.33 44.57 11.23 8.94 5.43 14.69 0.04 11.94 3.17 23 Y C C 86.76 13.58 11.55 25.18 115.37 -149.90 -92.81 129.79 72.44 18.51 9.05 54.40 12.00 5.21 3.59 5.80 0.01 12.18 6.81 24 R C C 123.71 7.39 16.26 24.91 120.21 -156.81 -107.58 132.91 90.86 8.42 0.72 69.18 20.80 1.11 0.33 0.37 0.00 5.75 2.46 25 P C C 61.09 10.61 14.51 25.95 116.30 -102.62 -67.23 151.47 97.97 1.62 0.41 84.83 11.86 1.43 0.14 0.23 0.00 1.09 0.42 26 P C C 73.17 9.70 15.51 25.83 109.28 -98.81 -67.53 142.98 96.21 2.54 1.25 76.62 16.56 3.04 0.52 0.69 0.00 1.37 1.20 27 V C C 61.75 12.67 13.59 26.71 118.29 -137.71 -101.23 131.77 87.67 9.62 2.72 66.04 19.34 1.99 1.48 1.23 0.00 4.55 5.37 28 P C C 62.86 9.46 15.50 26.01 112.90 -109.33 -68.49 147.88 85.35 6.66 7.99 70.79 8.76 5.80 3.17 4.61 0.00 5.02 1.84 29 L C C 94.54 8.64 15.91 25.27 109.27 -110.01 -76.95 125.09 75.03 12.35 12.61 55.34 11.06 8.21 5.50 7.25 0.02 8.35 4.27 30 V C C 50.26 14.83 12.49 27.25 114.55 -157.09 -96.81 125.95 69.95 16.77 13.29 48.12 12.87 8.59 6.82 6.72 0.05 10.96 5.87 31 N C C 82.77 6.63 16.50 24.15 107.32 -143.39 -92.01 103.69 78.75 10.41 10.84 59.67 10.03 8.58 5.94 5.05 0.00 7.25 3.46 32 Y C C 95.51 13.80 12.28 25.85 98.98 -166.85 -82.49 -3.48 74.47 5.29 20.24 31.60 16.01 28.12 12.26 7.04 0.07 2.97 1.93 33 D C T 93.90 5.17 15.90 22.16 99.92 71.49 -83.72 -4.46 74.52 2.62 22.86 25.71 20.31 29.51 15.16 6.74 0.06 1.32 1.19 34 K C C 110.95 6.39 16.80 24.00 113.32 57.11 -99.15 103.98 62.11 3.66 34.23 34.20 19.80 9.18 27.64 5.89 0.04 1.88 1.37 35 L C C 54.58 14.40 14.46 28.79 107.21 -130.36 -74.77 124.49 53.29 3.62 43.10 40.40 6.01 6.91 39.09 4.24 0.01 2.21 1.12 36 S H H 34.87 14.06 15.89 29.87 103.53 -118.99 -75.40 11.51 45.32 2.35 52.33 35.74 4.70 5.64 48.09 3.69 0.01 1.44 0.68 37 T H H 72.37 8.18 17.27 25.94 95.98 63.42 -69.37 -34.10 15.73 1.12 83.15 9.82 3.00 4.54 76.95 4.58 0.03 0.82 0.26 38 Q H H 106.28 3.28 19.87 23.04 93.29 55.24 -67.13 -38.08 9.12 0.78 90.10 4.28 1.59 4.13 83.89 5.23 0.05 0.69 0.15 39 F H H 28.91 17.35 16.49 33.70 93.34 50.75 -66.92 -41.63 8.61 0.74 90.66 3.05 1.36 4.81 84.30 5.57 0.08 0.68 0.14 40 F H H 32.64 19.23 16.02 34.57 92.98 50.30 -65.36 -40.34 9.31 0.56 90.13 3.33 1.61 5.21 84.10 5.10 0.07 0.44 0.15 41 S H H 59.08 4.10 20.78 24.95 91.96 54.05 -64.10 -39.78 13.71 0.37 85.91 3.65 2.01 8.37 75.87 9.65 0.07 0.26 0.12 42 K H H 97.64 6.14 20.33 26.95 92.58 50.32 -67.67 -35.92 17.21 0.26 82.52 2.82 1.86 11.89 70.69 12.37 0.09 0.17 0.10 43 L H H 10.03 22.73 13.23 35.56 93.79 51.79 -72.01 -31.15 17.20 0.24 82.56 3.48 2.08 10.83 65.33 17.97 0.07 0.14 0.11 44 D H H 63.67 12.91 16.43 29.32 92.52 66.03 -68.28 -22.55 44.09 0.20 55.70 4.18 2.78 35.70 46.52 10.52 0.04 0.10 0.15 45 N C T 123.24 1.54 19.77 20.37 95.14 50.13 -94.15 -2.24 68.13 0.17 31.70 4.11 5.77 58.03 22.27 9.55 0.02 0.07 0.18 46 D C C 31.26 16.16 10.44 26.88 111.81 101.78 -82.29 123.61 99.24 0.42 0.34 70.04 28.87 0.19 0.31 0.04 0.00 0.08 0.46 47 P H H 83.08 4.16 20.26 25.15 92.41 -143.54 -61.62 -34.01 7.91 0.01 92.07 0.62 0.85 6.51 91.23 0.76 0.01 0.00 0.01 48 V H H 26.15 17.07 18.79 35.51 92.45 53.25 -65.24 -41.32 4.24 0.02 95.74 0.25 0.30 3.94 94.78 0.70 0.02 0.01 0.01 49 I H H 5.66 24.06 17.20 41.34 92.03 47.83 -65.31 -42.61 1.07 0.03 98.90 0.12 0.08 0.84 98.34 0.58 0.01 0.01 0.00 50 N H H 56.90 10.94 21.44 32.62 91.48 51.92 -63.36 -40.84 0.55 0.01 99.44 0.09 0.04 0.39 98.92 0.54 0.00 0.01 0.00 51 R H H 93.19 8.17 23.47 31.87 92.15 50.42 -66.15 -40.55 0.96 0.03 99.01 0.10 0.06 0.83 98.31 0.66 0.01 0.02 0.00 52 V H H 9.57 21.57 18.95 40.27 92.65 49.05 -66.29 -41.94 2.46 0.04 97.50 0.16 0.15 2.25 96.66 0.73 0.02 0.02 0.01 53 L H H 25.27 19.93 18.98 38.03 92.81 49.16 -68.57 -33.38 13.44 0.08 86.48 0.73 0.85 11.94 85.40 0.96 0.04 0.03 0.04 54 R H H 123.40 6.81 21.60 28.50 94.61 51.02 -79.97 -21.60 35.47 0.39 64.13 3.04 4.89 27.28 63.16 1.12 0.14 0.14 0.25 55 A C C 36.15 12.86 15.81 29.15 107.66 76.12 -92.49 97.36 90.96 1.17 7.87 44.73 40.49 5.86 6.14 1.58 0.00 0.39 0.81 56 P C C 60.28 12.91 14.72 27.92 100.65 -165.12 -67.51 -3.46 83.68 1.26 15.05 43.55 11.66 28.81 5.99 8.67 0.00 0.66 0.66 57 K C C 125.16 5.85 18.39 24.98 99.53 71.04 -83.97 -0.83 78.42 5.53 16.05 38.68 15.07 25.78 6.38 8.83 0.03 3.00 2.23 58 V C C 34.39 17.67 12.10 29.23 114.46 104.65 -89.33 125.30 80.46 7.20 12.34 53.07 21.40 6.32 7.40 4.86 0.02 3.88 3.04 59 T C C 80.21 6.51 18.73 25.91 111.00 -143.00 -86.63 129.04 86.44 4.67 8.89 72.62 9.16 4.57 6.01 2.94 0.00 3.27 1.43 60 V C C 70.25 11.85 15.26 27.09 108.84 -137.64 -83.17 104.53 82.17 4.78 13.05 56.62 16.06 9.48 8.34 4.79 0.01 2.80 1.89 61 M C C 82.48 10.75 16.25 27.32 113.96 -153.65 -91.26 130.10 82.92 4.10 12.98 60.53 13.92 8.43 7.53 5.45 0.01 2.44 1.70 62 A C C 47.93 12.96 15.29 28.10 104.16 -116.98 -71.61 81.90 75.73 4.75 19.52 48.09 11.97 15.92 7.47 11.85 0.01 3.24 1.46 63 T C C 74.65 9.32 17.82 27.30 106.05 71.52 -93.63 18.14 72.48 10.05 17.47 39.73 15.63 18.28 6.33 10.53 0.05 6.75 2.70 64 S C C 48.87 12.44 17.91 30.07 108.13 58.00 -94.49 55.99 70.69 13.21 16.10 40.73 19.26 11.49 5.77 10.10 0.05 8.94 3.66 65 L C C 31.73 19.46 15.30 33.97 116.13 114.85 -98.67 128.92 80.85 12.59 6.55 48.27 29.11 4.06 3.41 3.03 0.01 8.54 3.57 66 P C C 60.43 9.68 21.82 31.76 106.53 -126.47 -70.03 125.41 80.81 9.93 9.26 59.88 12.34 8.57 3.48 5.63 0.00 7.44 2.66 67 I C C 38.25 18.56 16.85 34.34 104.08 -135.44 -91.47 33.13 79.36 10.41 10.23 59.56 10.01 9.02 3.65 6.53 0.01 5.31 5.92 68 V C T 54.88 14.73 16.38 30.64 109.03 126.08 -76.79 122.35 91.74 3.80 4.46 21.02 10.74 60.33 1.40 2.73 0.00 2.23 1.54 69 N C T 109.62 5.24 20.27 26.23 96.65 13.38 56.27 19.12 95.75 0.94 3.31 12.15 18.31 65.48 0.67 2.44 0.00 0.58 0.37 70 H C C 50.79 14.86 14.50 29.66 119.10 119.78 -99.95 137.03 97.05 1.82 1.13 54.47 42.04 0.47 0.95 0.19 0.00 0.42 1.45 71 P H H 71.30 7.89 20.74 29.39 92.81 -130.42 -60.61 -34.05 11.01 0.07 88.92 1.41 1.32 8.63 85.76 2.79 0.03 0.03 0.04 72 A H H 22.43 17.13 19.63 36.32 92.10 56.78 -65.19 -36.78 6.77 0.05 93.18 0.77 0.56 5.50 89.98 3.11 0.03 0.02 0.02 73 F H H 15.79 22.18 19.75 41.06 92.11 51.72 -65.40 -40.34 1.28 0.02 98.69 0.33 0.14 0.77 96.25 2.49 0.00 0.02 0.00 74 L H H 54.81 15.18 23.93 37.99 91.79 53.08 -63.72 -41.07 0.54 0.01 99.44 0.15 0.06 0.31 98.92 0.55 0.00 0.01 0.00 75 F H H 59.95 13.81 26.26 39.29 92.13 50.28 -65.93 -42.00 0.70 0.03 99.27 0.16 0.07 0.46 98.97 0.32 0.00 0.02 0.00 76 V H H 9.05 22.51 25.28 46.94 91.86 48.72 -64.91 -42.88 0.71 0.01 99.28 0.15 0.07 0.46 99.14 0.18 0.00 0.01 0.00 77 A H H 5.86 22.92 24.79 46.87 91.41 50.97 -63.43 -42.68 0.77 0.01 99.22 0.13 0.06 0.52 99.13 0.15 0.00 0.00 0.00 78 G H H 16.20 15.48 26.99 42.09 92.14 51.06 -64.80 -41.39 2.01 0.01 97.98 0.23 0.13 1.54 97.82 0.27 0.00 0.00 0.00 79 A H H 17.56 18.06 26.91 44.39 91.99 49.94 -65.42 -41.95 3.32 0.02 96.66 0.42 0.27 2.46 96.48 0.35 0.01 0.01 0.01 80 L H H 6.73 23.87 25.89 48.87 91.94 49.00 -65.26 -42.24 5.83 0.07 94.09 1.53 0.76 3.57 93.50 0.56 0.02 0.03 0.03 81 T H H 14.88 21.43 26.27 46.31 91.87 50.20 -63.96 -42.28 10.51 0.14 89.35 1.83 1.18 7.43 88.64 0.75 0.03 0.06 0.08 82 G H H 16.56 15.76 26.98 42.10 92.39 50.38 -64.87 -42.25 11.90 0.13 87.97 1.73 1.33 8.73 87.21 0.85 0.03 0.06 0.07 83 F H H 36.48 17.65 26.96 43.82 92.13 48.62 -65.65 -41.85 6.25 0.12 93.63 1.73 1.00 3.53 92.85 0.77 0.01 0.07 0.04 84 S H H 4.59 23.99 24.81 47.93 91.86 50.29 -64.83 -42.34 3.30 0.13 96.57 1.12 0.44 1.79 95.95 0.59 0.01 0.08 0.03 85 L H H 19.87 21.15 25.94 45.85 92.20 49.52 -64.97 -42.54 1.57 0.10 98.33 0.48 0.20 0.89 97.78 0.55 0.01 0.07 0.01 86 T H H 31.52 14.71 26.63 40.97 91.87 49.83 -64.81 -42.42 1.34 0.09 98.57 0.37 0.15 0.83 97.97 0.59 0.01 0.07 0.01 87 Y H H 25.64 19.22 24.30 42.71 92.21 49.28 -65.33 -42.30 1.44 0.07 98.49 0.29 0.14 1.00 97.77 0.73 0.01 0.05 0.01 88 A H H 6.95 22.79 21.92 43.81 92.15 49.46 -65.61 -41.32 2.68 0.06 97.27 0.33 0.20 2.12 96.37 0.91 0.01 0.04 0.01 89 I H H 46.06 15.79 23.03 37.92 95.03 43.59 -73.96 -34.84 8.72 0.07 91.21 0.57 0.59 7.66 90.16 0.91 0.04 0.03 0.03 90 T H H 49.11 11.59 21.61 33.22 98.93 40.44 -91.01 -15.75 30.70 0.47 68.83 4.12 4.64 22.48 66.85 1.32 0.13 0.17 0.29 91 S C C 22.99 19.17 14.80 33.14 105.22 82.34 -79.90 68.75 67.69 3.17 29.14 37.55 15.72 14.46 25.83 3.49 0.05 1.31 1.60 92 H C C 111.53 8.60 19.44 28.23 102.39 100.27 -80.71 -9.51 62.84 3.49 33.67 26.94 17.00 19.56 25.62 7.55 0.08 1.90 1.33 93 Y C C 112.49 9.99 18.62 28.56 105.25 54.54 -84.45 51.58 59.30 4.87 35.83 28.49 12.86 18.65 27.50 7.87 0.12 2.91 1.61 94 V C C 35.83 17.97 14.46 31.48 105.17 114.92 -88.32 23.76 59.44 5.96 34.60 28.34 14.28 17.75 27.89 6.12 0.19 3.36 2.07 95 G C C 25.69 10.06 18.48 28.97 115.05 -123.87 60.75 160.66 69.23 2.77 28.00 39.10 12.32 17.22 24.66 4.18 0.02 1.52 0.97 96 R H H 117.06 10.67 15.53 26.28 96.43 -90.52 -68.06 -32.90 32.99 1.62 65.39 19.51 8.01 7.43 59.03 4.60 0.04 0.85 0.53 97 K H H 129.81 3.05 18.92 22.21 93.90 59.09 -67.09 -36.33 20.04 1.87 78.09 10.34 4.01 7.26 70.58 5.93 0.06 1.38 0.43 98 E H H 63.28 12.22 17.99 30.25 93.79 51.07 -69.12 -37.26 16.98 2.52 80.49 10.34 2.58 5.45 73.11 5.83 0.04 2.22 0.42 99 I H H 16.40 21.19 15.25 35.86 92.78 51.99 -65.68 -41.78 8.55 1.10 90.36 5.28 1.43 2.80 85.46 3.90 0.02 0.95 0.16 100 E H H 86.97 7.60 20.41 28.57 92.08 53.23 -63.42 -40.44 6.42 0.62 92.96 3.09 0.99 2.89 88.21 4.17 0.02 0.54 0.09 101 N H H 71.46 5.48 21.66 27.49 92.17 50.61 -66.55 -38.84 7.42 0.41 92.17 2.70 1.02 4.12 86.72 4.99 0.03 0.33 0.09 102 L H H 15.19 19.64 16.67 36.22 92.56 52.19 -66.06 -40.25 6.23 0.23 93.55 1.87 0.84 3.72 87.20 6.12 0.03 0.17 0.05 103 V H H 33.27 16.75 16.94 33.32 92.77 52.01 -67.25 -34.49 10.93 0.32 88.75 2.26 1.28 7.51 80.78 7.77 0.08 0.21 0.10 104 K H H 128.49 3.85 21.07 25.38 92.58 56.16 -70.05 -26.67 28.90 0.32 70.77 2.97 2.25 23.33 64.93 6.10 0.08 0.19 0.15 105 F H H 80.82 11.20 16.69 28.40 99.50 48.96 -91.60 -8.18 47.54 0.89 51.57 7.17 9.46 31.86 45.46 4.90 0.19 0.36 0.60 106 D C C 35.93 14.22 13.74 28.52 109.53 67.69 -111.42 95.70 98.96 0.32 0.72 90.87 7.64 0.48 0.44 0.19 0.00 0.10 0.29 107 P H G 68.72 10.53 13.85 25.75 93.40 -169.31 -64.78 -21.91 36.25 0.16 63.58 3.48 2.25 28.11 3.54 62.47 0.00 0.10 0.05 108 R H G 155.45 3.09 18.78 22.53 92.60 65.38 -69.79 -24.35 36.04 0.12 63.84 1.11 1.94 31.87 3.77 61.19 0.00 0.07 0.04 109 Y H G 67.48 14.27 15.75 29.86 98.65 47.01 -85.85 -22.95 33.96 0.39 65.65 3.08 4.43 25.39 4.06 62.68 0.00 0.24 0.12 110 F C C 24.95 19.48 12.05 31.14 108.47 42.67 -116.64 74.58 90.05 1.06 8.90 54.85 33.27 2.26 6.08 2.23 0.00 0.29 1.02 111 P H G 70.20 6.97 16.76 25.18 96.26 165.29 -64.88 -30.16 48.54 0.74 50.72 19.58 6.13 22.16 19.39 31.93 0.01 0.39 0.40 112 E H G 117.05 4.95 18.01 23.64 95.22 59.24 -71.02 -21.52 43.85 1.32 54.83 9.88 7.34 25.49 22.28 33.54 0.11 0.71 0.65 113 Y H G 65.10 15.68 13.79 28.89 100.33 52.81 -92.25 -2.05 42.60 3.97 53.43 19.99 8.94 15.00 22.07 30.28 0.07 2.25 1.41 114 T C C 50.17 13.93 12.47 26.27 110.56 89.00 -92.60 111.27 62.29 9.34 28.37 38.51 13.88 10.38 18.37 9.81 0.09 5.20 3.76 115 K C C 126.90 5.22 13.53 20.29 112.77 -156.01 -91.13 125.28 76.04 9.40 14.56 45.51 20.13 10.67 10.01 4.66 0.05 5.57 3.40 116 S C C 77.81 4.76 11.06 17.68 111.37 -133.56 -84.57 129.99 91.41 3.88 4.70 83.99 1.88 6.06 3.01 1.23 0.00 2.47 1.36 117 S C C 78.59 4.44 12.10 18.36 111.76 -157.12 -96.51 125.54 99.86 0.11 0.04 99.68 0.13 0.09 0.02 0.00 0.00 0.06 0.01