# 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 114.87 5.44 11.39 18.53 119.71 -166.34 -108.44 134.42 99.59 0.36 0.05 99.48 0.17 0.07 0.02 0.00 0.00 0.20 0.04 1 D C C 114.32 2.14 11.43 14.90 112.86 -146.36 -95.97 122.72 82.26 8.33 9.41 76.44 1.96 4.42 5.85 2.77 0.00 6.12 2.45 2 A C C 62.29 7.90 7.89 16.97 116.80 -157.77 -96.99 134.74 66.59 13.06 20.35 47.22 11.20 8.60 9.93 10.15 0.02 10.81 2.08 3 E C C 129.75 3.07 12.43 16.99 115.54 -157.31 -99.10 132.52 56.57 22.74 20.69 39.94 10.23 7.16 9.84 10.33 0.05 20.08 2.37 4 F C C 109.35 7.98 9.34 18.72 117.66 -153.53 -102.66 131.99 49.94 31.64 18.41 37.20 7.87 5.31 9.94 8.41 0.08 28.18 3.01 5 R C C 135.87 4.60 11.60 17.96 118.06 -157.83 -106.50 133.95 46.52 40.88 12.61 36.06 5.88 4.04 8.62 4.85 0.12 35.32 5.13 6 H C C 113.31 6.10 8.64 16.29 114.73 -147.27 -96.84 132.57 57.23 32.90 9.87 40.76 8.74 7.70 5.68 4.43 0.07 29.24 3.38 7 D C C 110.20 2.48 9.92 13.72 108.14 -131.86 -89.60 66.49 71.61 18.64 9.75 31.13 16.13 26.13 3.93 5.11 0.05 15.21 2.31 8 S C T 91.67 1.66 10.29 12.68 100.30 -27.54 -81.29 13.62 88.72 1.73 9.54 15.90 20.97 52.40 3.68 5.30 0.01 1.09 0.65 9 G C T 51.87 3.17 10.82 15.32 104.01 -70.03 86.04 1.22 84.36 5.28 10.36 19.47 30.74 35.35 4.37 5.09 0.03 3.76 1.21 10 Y C C 118.74 6.72 9.56 17.91 117.87 106.63 -100.13 135.79 54.14 34.29 11.56 38.12 10.09 5.52 8.42 3.99 0.07 29.59 4.18 11 E E E 105.86 5.84 13.20 20.60 119.10 -152.82 -103.84 135.31 34.01 49.11 16.89 24.38 5.32 4.01 14.55 4.14 0.09 42.81 4.70 12 V E E 60.42 10.23 11.96 23.44 117.61 -153.26 -104.26 130.54 35.91 39.73 24.36 25.53 5.26 4.56 20.51 4.79 0.09 36.72 2.55 13 H C C 90.61 7.83 13.60 22.76 112.31 -147.82 -94.78 122.76 43.51 28.05 28.44 29.92 6.80 6.17 23.34 5.57 0.09 25.89 2.22 14 H C H 93.77 8.87 12.48 22.29 107.36 -160.87 -87.60 59.87 45.33 12.48 42.19 30.98 7.19 7.72 33.55 7.97 0.06 10.89 1.64 15 Q H H 109.83 4.99 13.63 19.78 100.02 76.89 -71.07 -25.61 35.25 8.05 56.70 18.29 6.43 11.38 42.49 13.11 0.16 6.87 1.27 16 K H H 122.49 4.69 13.92 19.74 102.67 58.06 -83.73 5.49 32.43 9.08 58.50 15.24 5.89 11.76 44.18 13.42 0.19 8.02 1.30 17 L H H 70.74 10.00 11.92 22.71 105.84 90.00 -87.82 66.21 29.32 11.92 58.77 16.93 5.67 7.95 46.29 10.87 0.16 10.54 1.58 18 V H H 65.36 8.55 12.86 22.70 107.78 65.87 -89.42 93.41 26.80 13.99 59.21 17.53 4.54 5.74 49.98 7.63 0.10 13.00 1.49 19 F H H 113.05 5.77 14.09 21.03 99.91 51.90 -72.42 -27.21 28.45 13.10 58.45 17.12 4.78 7.78 48.34 8.40 0.16 11.92 1.49 20 F H H 115.85 6.09 13.61 20.78 99.21 51.84 -82.79 -4.55 33.60 8.76 57.64 19.12 6.39 9.99 47.02 8.58 0.19 7.24 1.49 21 A H H 51.84 9.58 11.74 22.15 102.90 77.04 -79.49 -6.88 39.62 5.46 54.91 23.40 7.99 9.98 45.06 8.22 0.08 4.10 1.16 22 E H H 123.81 4.15 13.97 19.34 103.05 65.01 -80.51 -15.20 46.08 4.33 49.59 21.99 10.79 15.11 38.99 8.91 0.15 2.82 1.24 23 D C C 95.44 4.52 13.89 19.57 105.76 40.86 -88.42 84.16 57.62 3.38 39.01 31.42 10.27 16.74 30.01 8.28 0.06 1.95 1.26 24 V C C 72.74 10.07 10.49 21.22 103.71 110.75 -85.20 10.77 64.92 3.37 31.71 28.61 12.40 24.99 23.20 7.41 0.09 1.70 1.58 25 G C T 47.54 4.84 14.14 20.06 105.31 14.84 67.24 -18.00 76.50 2.18 21.32 28.59 16.14 32.81 13.28 6.98 0.03 1.02 1.15 26 S C C 77.83 3.87 13.68 18.65 103.07 50.46 -88.05 5.48 77.03 2.27 20.70 27.17 26.72 24.15 12.16 7.42 0.04 0.99 1.35 27 N C C 79.35 7.59 12.52 21.25 108.73 86.38 -94.94 97.72 79.19 2.69 18.12 46.26 19.91 13.11 12.72 5.22 0.01 1.11 1.66 28 K H H 126.19 5.97 14.36 21.59 96.01 -161.73 -66.97 -30.49 31.41 0.78 67.80 9.55 7.70 16.60 59.93 5.29 0.15 0.36 0.42 29 G H H 40.59 4.27 16.75 21.62 93.94 55.47 -66.25 -36.33 25.69 0.47 73.84 5.68 4.33 16.77 67.66 4.95 0.14 0.24 0.23 30 A H H 39.51 8.46 15.97 25.49 93.19 54.41 -67.21 -38.76 13.65 0.55 85.79 5.95 2.26 6.40 80.64 4.17 0.04 0.34 0.19 31 C H H 41.93 10.64 15.94 27.39 92.99 53.34 -65.09 -41.40 5.65 0.31 94.04 2.90 0.93 2.27 91.99 1.62 0.01 0.18 0.09 32 I H H 85.04 5.14 19.88 25.30 92.20 50.76 -64.76 -41.69 1.94 0.11 97.96 0.83 0.25 0.89 97.17 0.77 0.01 0.07 0.02 33 G H H 31.59 5.87 18.96 25.55 91.92 51.24 -64.53 -41.10 1.54 0.06 98.39 0.50 0.16 0.85 97.68 0.76 0.00 0.04 0.01 34 L H H 68.81 9.48 18.49 28.20 92.20 50.49 -65.70 -40.96 1.47 0.04 98.49 0.35 0.13 0.91 97.83 0.73 0.00 0.03 0.01 35 M H H 80.00 8.57 19.47 28.21 92.20 50.49 -65.80 -41.32 2.22 0.06 97.71 0.48 0.21 1.46 97.18 0.61 0.01 0.03 0.01 36 V H H 76.87 4.67 21.36 26.15 92.37 49.02 -65.43 -41.77 2.71 0.05 97.24 0.66 0.29 1.64 97.00 0.36 0.00 0.02 0.02 37 G H H 27.23 7.36 19.26 27.32 92.19 50.86 -64.80 -41.54 2.33 0.02 97.65 0.54 0.20 1.38 97.62 0.25 0.00 0.01 0.00 38 G H H 25.05 9.61 18.55 28.58 92.33 52.01 -64.86 -41.18 1.73 0.01 98.25 0.42 0.16 0.98 98.23 0.20 0.00 0.01 0.00 39 V H H 69.93 6.61 20.36 27.04 92.50 50.01 -65.54 -41.57 0.48 0.00 99.52 0.13 0.04 0.24 99.53 0.07 0.00 0.00 0.00 40 V H H 70.63 5.43 20.40 26.20 92.32 50.13 -65.04 -42.09 0.21 0.00 99.79 0.05 0.01 0.11 99.80 0.03 0.00 0.00 0.00 41 I H H 74.34 7.20 19.97 27.32 92.04 49.56 -64.70 -41.98 0.17 0.00 99.83 0.03 0.01 0.09 99.85 0.02 0.00 0.00 0.00 42 A H H 41.02 8.34 18.72 27.50 91.93 50.95 -64.47 -41.56 0.20 0.00 99.80 0.03 0.01 0.11 99.84 0.02 0.00 0.00 0.00 43 T H H 59.99 6.39 19.57 26.42 92.06 51.06 -64.84 -41.57 0.16 0.00 99.84 0.02 0.01 0.09 99.87 0.01 0.00 0.00 0.00 44 V H H 64.72 6.74 19.28 26.52 91.90 50.15 -64.82 -42.20 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 45 I H H 70.08 8.18 18.98 27.18 92.05 49.60 -64.83 -42.25 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 46 V H H 66.57 6.61 19.34 25.96 92.00 48.87 -64.87 -42.27 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 47 I H H 78.36 5.17 19.47 25.04 91.80 48.70 -64.74 -42.17 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 48 T H H 47.21 8.19 17.65 26.74 91.85 50.25 -64.40 -41.76 0.25 0.00 99.75 0.02 0.01 0.18 99.75 0.04 0.00 0.00 0.00 49 L H H 65.98 7.56 17.87 25.96 92.02 50.24 -64.70 -41.60 0.35 0.00 99.65 0.02 0.01 0.26 99.61 0.09 0.00 0.00 0.00 50 V H H 65.78 4.61 18.04 22.98 91.91 49.83 -64.71 -42.03 0.74 0.01 99.26 0.06 0.04 0.57 99.09 0.24 0.00 0.00 0.00 51 M H H 75.74 4.99 16.27 22.44 92.18 50.27 -65.61 -40.45 2.07 0.02 97.91 0.23 0.15 1.61 97.33 0.67 0.00 0.01 0.00 52 L H H 61.14 8.01 13.24 22.74 92.77 51.94 -66.06 -38.28 5.46 0.06 94.49 0.79 0.53 4.06 92.88 1.67 0.02 0.03 0.02 53 K H H 121.27 4.72 13.93 19.52 92.76 53.48 -68.67 -31.81 12.61 0.09 87.29 1.52 1.18 9.80 85.35 2.03 0.04 0.04 0.05 54 K H H 138.66 2.39 13.45 16.36 95.59 51.92 -81.13 -15.49 28.73 0.31 70.96 4.24 4.23 20.73 67.63 2.77 0.10 0.12 0.18 55 K C H 122.87 4.83 11.41 17.60 103.29 61.59 -89.53 19.45 56.49 1.53 41.98 17.14 15.11 25.54 36.62 4.04 0.10 0.64 0.80 56 Q C C 125.96 3.54 12.42 17.29 103.91 -141.40 -74.97 42.82 68.92 3.20 27.88 36.07 10.71 22.12 21.98 6.02 0.02 1.85 1.24 57 Y C C 127.17 7.13 10.30 18.79 111.68 133.09 -96.53 112.71 67.54 6.80 25.66 41.97 12.07 13.11 17.57 8.58 0.04 4.36 2.31 58 T C C 84.81 5.03 11.63 18.33 111.82 161.46 -104.26 96.85 67.75 10.96 21.29 40.31 14.72 12.66 13.65 8.05 0.09 8.01 2.52 59 S C C 70.68 5.01 11.61 18.26 116.22 110.58 -99.91 133.54 64.88 18.22 16.89 37.83 16.09 11.33 9.91 7.14 0.11 14.82 2.76 60 I C C 105.50 5.88 10.49 18.01 115.35 -152.27 -101.27 127.88 57.91 28.32 13.77 36.74 13.69 7.97 9.19 5.23 0.12 23.32 3.73 61 H C C 121.22 4.94 10.94 17.59 115.44 -161.27 -103.47 125.84 59.17 29.69 11.14 40.81 9.93 8.48 7.14 4.51 0.05 25.40 3.68 62 H C C 141.98 3.44 11.46 16.36 109.40 -140.98 -95.26 98.44 74.31 13.30 12.38 30.75 15.76 28.82 7.39 4.59 0.05 10.74 1.90 63 G C T 50.04 4.15 12.14 17.52 105.81 -34.35 86.69 -5.20 76.93 9.73 13.34 24.17 20.65 33.19 7.79 4.94 0.06 7.64 1.56 64 V C E 89.78 6.15 11.41 18.87 114.13 112.07 -98.24 130.18 43.10 39.72 17.18 24.25 12.16 9.24 12.48 5.37 0.39 31.71 4.40 65 V E E 79.31 7.37 11.50 20.34 117.48 -148.91 -103.14 132.91 32.89 49.33 17.78 21.88 7.06 5.55 13.93 5.09 0.13 42.99 3.38 66 E E E 121.57 4.73 15.08 21.02 113.39 -144.55 -91.76 122.88 37.04 45.42 17.54 26.70 5.88 4.90 13.35 5.11 0.07 40.97 3.02 67 V C C 63.93 11.66 9.65 21.76 116.96 -161.61 -102.54 130.47 57.19 28.11 14.70 43.44 7.64 4.67 11.46 4.15 0.04 25.39 3.21 68 D C C 94.69 4.32 13.34 18.92 112.09 -144.58 -88.14 122.95 78.87 9.38 11.74 61.69 9.19 7.47 6.80 5.27 0.00 7.59 1.99 69 A C T 78.22 4.30 11.55 17.42 99.08 -133.42 -77.70 -13.29 81.57 2.81 15.62 19.05 18.73 44.63 5.64 9.17 0.03 1.73 1.02 70 A C T 82.58 2.37 13.28 16.47 98.82 59.99 -85.78 -0.92 83.85 4.00 12.15 24.77 16.41 43.70 3.71 7.69 0.02 2.56 1.13 71 V C C 49.31 12.31 8.18 20.95 118.80 100.44 -100.25 137.97 88.39 6.90 4.72 52.61 32.78 2.91 2.62 1.95 0.01 2.52 4.59 72 T C C 61.20 3.75 14.95 19.77 119.39 -124.57 -79.84 158.23 98.50 0.70 0.80 92.57 5.72 0.27 0.74 0.09 0.00 0.26 0.36 73 P H H 83.75 5.00 13.27 19.92 91.22 -110.31 -57.97 -38.07 6.46 0.05 93.49 1.79 1.12 3.71 91.35 1.97 0.01 0.02 0.02 74 E H H 106.61 5.38 15.35 21.87 92.17 53.40 -64.75 -39.62 4.09 0.04 95.86 0.88 0.49 2.68 93.99 1.91 0.01 0.03 0.01 75 E H H 85.05 6.77 15.28 23.30 92.28 48.91 -66.10 -39.24 2.04 0.04 97.92 0.72 0.26 1.10 96.20 1.68 0.00 0.03 0.01 76 R H H 109.87 5.19 16.85 22.97 92.07 51.29 -64.54 -41.40 1.04 0.02 98.94 0.36 0.12 0.51 98.48 0.52 0.00 0.01 0.00 77 H H H 82.34 6.01 18.14 25.12 92.12 49.81 -64.70 -41.32 1.11 0.02 98.87 0.29 0.10 0.64 98.63 0.32 0.00 0.01 0.00 78 L H H 48.39 9.74 16.41 27.54 92.25 50.61 -64.79 -41.54 0.93 0.01 99.05 0.21 0.09 0.54 98.88 0.27 0.00 0.01 0.00 79 S H H 41.55 5.47 17.61 24.45 91.60 51.36 -63.70 -41.26 1.40 0.02 98.58 0.32 0.13 0.81 98.38 0.34 0.00 0.01 0.00 80 K H H 103.57 3.40 18.86 22.41 92.11 50.40 -65.33 -40.03 2.72 0.04 97.24 0.51 0.27 1.81 96.75 0.62 0.01 0.02 0.01 81 M H H 53.43 9.24 13.87 24.81 92.54 50.71 -66.37 -39.35 3.97 0.10 95.93 1.09 0.53 2.36 94.91 1.01 0.02 0.05 0.02 82 Q H H 90.19 7.47 13.70 22.37 93.43 52.55 -67.36 -37.30 7.14 0.20 92.66 2.08 0.93 4.31 90.73 1.74 0.03 0.11 0.06 83 Q H H 133.16 1.64 15.20 16.84 93.42 54.35 -69.48 -29.69 16.40 0.22 83.38 2.10 1.72 12.72 81.45 1.73 0.08 0.10 0.10 84 N C T 101.89 2.92 13.92 17.58 98.86 42.35 -94.80 -0.19 56.60 0.35 43.04 3.68 5.70 45.49 42.54 2.14 0.08 0.13 0.24 85 G C T 43.81 5.13 13.52 20.04 101.84 -111.94 80.39 8.79 92.78 0.78 6.44 20.39 14.39 58.55 3.39 2.52 0.00 0.38 0.39 86 Y C C 108.61 9.69 11.23 21.66 107.00 118.35 -90.67 85.00 90.36 2.11 7.53 54.56 16.20 19.63 2.32 5.06 0.00 1.07 1.14 87 E C C 125.55 4.04 14.97 20.36 108.03 151.54 -90.44 93.15 90.67 2.34 6.99 51.76 23.38 15.61 2.24 4.58 0.00 1.09 1.34 88 N C C 56.17 10.27 11.50 23.13 114.18 118.55 -96.30 123.61 95.75 1.07 3.17 70.65 23.14 1.89 2.41 0.78 0.00 0.36 0.77 89 P C H 77.25 5.49 15.42 22.44 93.31 -140.19 -62.99 -26.59 53.66 0.51 45.83 16.37 6.55 30.59 38.03 7.90 0.02 0.26 0.28 90 T H H 57.03 9.10 15.08 25.20 93.17 61.50 -69.13 -32.22 45.13 0.85 54.02 11.82 5.44 28.09 45.66 7.99 0.10 0.49 0.41 91 Y H H 70.79 11.15 13.55 25.69 94.08 58.44 -66.34 -36.77 21.72 1.64 76.64 13.18 4.10 6.33 65.37 9.40 0.04 1.11 0.46 92 K H H 110.93 3.82 17.34 21.82 92.95 62.08 -64.49 -40.49 11.32 0.95 87.74 6.47 1.86 4.11 79.86 6.68 0.02 0.81 0.18 93 F H H 90.51 5.44 16.61 23.20 92.39 51.97 -64.65 -41.21 7.97 0.69 91.34 3.36 1.33 3.89 83.37 7.24 0.04 0.65 0.11 94 F H H 63.72 10.23 14.16 25.66 92.65 50.44 -66.12 -40.04 7.72 0.62 91.66 3.52 1.33 3.49 84.29 6.68 0.03 0.54 0.11 95 E H H 88.72 5.86 15.23 22.42 92.17 53.61 -64.78 -38.96 12.36 0.90 86.75 5.48 2.06 5.68 80.07 5.73 0.05 0.71 0.21 96 Q H H 107.80 2.43 16.12 18.70 92.72 51.38 -68.11 -33.55 21.23 0.89 77.88 7.45 3.33 11.19 72.29 4.79 0.09 0.55 0.30 97 M H H 81.83 6.87 12.72 21.16 96.24 54.17 -75.74 -26.62 34.94 1.21 63.85 16.91 6.44 13.27 58.33 3.89 0.05 0.60 0.51 98 Q H H 95.64 6.52 12.25 20.10 98.43 67.72 -74.32 -20.09 48.04 1.45 50.51 25.32 8.16 15.12 46.58 3.49 0.03 0.71 0.58 99 N C C 97.13 3.55 12.71 17.43 102.98 59.77 -85.30 20.70 60.18 1.12 38.69 34.65 8.71 16.68 34.60 4.31 0.01 0.51 0.52 100 E H H 119.14 4.55 11.39 17.51 97.71 89.32 -73.08 -21.46 41.61 1.16 57.22 24.74 7.86 10.17 45.44 10.69 0.02 0.58 0.49 101 Q H H 113.61 4.30 11.86 17.73 99.04 69.01 -77.87 -18.91 33.95 1.36 64.69 15.90 6.01 11.95 48.50 16.32 0.05 0.81 0.47 102 K H H 124.82 4.35 12.85 18.62 103.57 71.17 -84.19 19.77 34.64 2.47 62.89 16.67 6.18 11.96 46.45 16.33 0.08 1.58 0.75 103 L H H 87.18 6.96 12.07 20.38 106.99 87.31 -89.85 77.70 39.51 5.03 55.45 21.97 8.05 11.33 42.64 11.15 0.17 3.19 1.51 104 I C C 74.64 9.19 10.47 20.91 113.48 88.35 -97.21 127.09 55.77 6.98 37.25 36.24 11.26 9.11 32.70 4.30 0.09 3.90 2.41 105 S C C 59.28 4.52 12.76 18.73 116.07 -153.54 -95.75 148.87 73.18 2.85 23.98 53.50 8.63 9.50 22.42 3.25 0.00 1.62 1.07 106 E C H 129.31 4.15 11.48 17.17 97.12 -127.02 -71.60 -25.62 49.85 1.45 48.70 26.21 11.07 13.62 38.21 9.49 0.04 0.70 0.66 107 E H H 129.13 2.36 12.49 15.85 96.94 59.94 -72.87 -29.05 43.13 0.93 55.94 14.71 8.59 20.23 42.55 12.86 0.10 0.48 0.47 108 D H H 82.57 4.60 12.20 18.23 98.53 53.36 -80.05 -15.26 43.14 1.53 55.33 20.34 7.45 16.11 41.53 12.99 0.08 0.83 0.66 109 L H H 77.60 7.07 10.76 19.38 97.97 75.75 -73.09 -28.69 38.91 2.43 58.65 23.67 7.56 9.62 47.06 9.82 0.05 1.37 0.85 110 L H H 87.34 5.31 11.71 18.57 100.51 63.59 -78.19 -18.82 40.23 3.55 56.22 25.77 7.25 9.32 45.65 8.68 0.06 2.20 1.08 111 E H H 115.36 3.22 12.88 17.27 101.69 72.57 -78.13 -17.24 44.94 3.06 52.00 29.04 7.43 9.95 42.52 8.16 0.04 1.94 0.92 112 H C H 107.49 5.21 11.48 18.18 102.30 66.61 -82.98 -3.05 50.81 2.30 46.89 32.43 7.87 11.65 38.31 7.56 0.02 1.31 0.84 113 H C C 108.23 5.59 10.66 17.78 102.07 85.41 -80.50 -4.53 55.98 1.87 42.15 35.87 8.39 12.49 33.92 7.55 0.02 0.98 0.78 114 H C C 121.75 3.68 10.79 15.99 102.14 76.50 -83.97 7.10 59.50 1.68 38.82 35.26 9.60 15.35 29.27 8.87 0.02 0.85 0.78 115 H C C 121.00 3.77 9.96 15.35 103.33 75.71 -85.25 15.62 62.79 1.75 35.46 35.95 10.55 16.70 24.86 10.19 0.02 0.87 0.87 116 H C C 125.40 3.69 9.13 14.51 104.95 73.14 -85.87 29.19 67.31 1.87 30.81 38.15 11.56 17.82 20.15 10.42 0.01 0.93 0.95 117 H C C 132.88 3.16 8.47 13.35 105.86 71.98 -87.97 36.03 74.20 2.11 23.69 43.58 11.96 18.90 14.46 8.97 0.01 1.12 1.02 118 H C C 136.20 2.92 7.86 12.59 108.03 95.98 -92.22 81.28 85.87 1.43 12.70 70.15 3.50 13.31 7.65 3.85 0.00 0.80 0.75 119 H C C 140.12 3.05 10.17 14.94 108.10 -156.06 -90.77 94.97 99.72 0.10 0.17 99.13 0.30 0.39 0.07 0.03 0.00 0.05 0.03