# 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 106.94 6.00 11.08 18.69 119.43 -165.19 -102.66 134.72 99.76 0.20 0.04 99.64 0.15 0.06 0.02 0.00 0.00 0.10 0.03 1 D C C 105.33 2.57 10.95 14.83 110.14 -132.33 -87.42 122.11 78.67 3.09 18.24 74.29 1.51 4.30 13.45 3.43 0.00 1.70 1.32 2 A H C 69.63 5.61 7.87 14.93 102.52 -155.77 -80.17 -2.86 48.19 2.33 49.48 28.88 8.44 10.91 27.56 22.05 0.02 1.39 0.75 3 E H H 134.93 2.31 10.79 14.26 98.99 83.61 -78.07 -12.77 43.28 3.50 53.22 25.21 7.89 10.35 30.32 23.00 0.03 2.28 0.92 4 F H H 126.27 4.45 9.94 15.98 101.46 67.22 -84.29 3.44 44.16 4.30 51.55 28.05 7.95 8.46 31.45 20.19 0.03 2.73 1.14 5 R C C 129.80 5.93 10.66 18.03 105.68 77.86 -86.32 53.38 59.32 4.24 36.44 42.67 8.20 8.26 28.21 8.64 0.02 2.51 1.49 6 H C C 115.41 5.63 10.38 17.53 107.57 59.93 -87.37 92.94 68.47 4.34 27.19 45.62 9.48 12.54 22.44 5.74 0.01 2.47 1.69 7 D C C 97.08 4.06 11.44 17.02 105.33 70.49 -89.92 65.59 75.04 2.93 22.03 45.28 11.84 17.44 17.02 5.57 0.01 1.57 1.28 8 S C T 72.70 4.58 11.13 17.20 101.33 102.26 -85.26 8.74 74.03 1.38 24.59 23.07 16.91 34.55 17.10 6.95 0.03 0.65 0.73 9 G C T 47.07 4.64 12.83 18.70 102.39 -78.07 67.06 -1.67 70.29 1.87 27.84 21.48 18.88 30.80 19.25 7.71 0.06 0.91 0.91 10 Y C C 116.65 7.66 10.80 19.71 109.18 98.45 -91.61 107.36 53.15 8.57 38.28 33.54 11.07 9.58 30.29 7.50 0.10 5.91 2.01 11 E H H 108.03 5.32 13.98 20.60 111.76 71.93 -89.87 125.89 40.90 15.14 43.96 27.64 7.25 7.38 36.09 6.88 0.15 12.24 2.37 12 V H H 68.87 8.21 12.83 22.31 111.94 -153.08 -91.18 126.17 35.77 13.62 50.60 23.73 6.55 7.16 42.28 6.74 0.14 11.55 1.85 13 H H H 90.71 7.97 13.55 22.62 106.03 -152.02 -87.36 77.19 39.90 8.67 51.43 26.31 6.73 8.19 43.46 6.72 0.07 7.15 1.37 14 H H H 94.68 8.19 13.05 22.24 98.77 56.14 -73.96 -28.98 37.93 4.05 58.02 24.75 6.36 8.40 48.73 7.85 0.04 3.04 0.84 15 Q H H 109.28 4.18 14.29 19.54 96.80 61.44 -69.19 -30.40 30.76 3.42 65.82 15.57 5.47 10.95 54.16 10.42 0.09 2.65 0.70 16 K H H 117.66 4.58 14.37 19.91 96.79 55.83 -73.68 -27.92 29.32 5.21 65.47 13.70 5.01 11.62 53.82 10.55 0.12 4.35 0.83 17 L H H 68.07 9.68 12.11 22.66 99.54 59.59 -77.06 -26.47 25.01 7.41 67.58 15.12 4.65 7.13 56.67 8.91 0.09 6.40 1.04 18 V H H 69.27 7.31 13.28 21.95 99.08 65.11 -71.06 -35.60 20.60 8.13 71.26 13.42 3.40 5.28 61.78 7.69 0.06 7.61 0.77 19 F H H 116.35 4.62 14.69 20.23 97.64 55.44 -72.08 -34.88 22.02 8.02 69.96 12.92 3.53 6.98 59.72 8.59 0.09 7.37 0.79 20 F H H 112.51 6.14 13.80 20.94 98.92 52.01 -78.50 -17.57 25.74 5.49 68.78 14.54 4.74 8.46 58.30 8.36 0.09 4.70 0.80 21 A H H 51.50 9.24 12.01 22.22 100.64 74.96 -79.08 -13.58 30.45 3.63 65.92 17.77 5.96 8.87 56.56 7.22 0.06 2.88 0.68 22 E H H 121.01 4.26 14.21 19.64 103.31 91.41 -81.26 -11.28 38.58 3.17 58.24 19.29 8.40 13.11 48.72 7.38 0.10 2.18 0.83 23 D C H 94.10 4.50 13.85 19.57 106.78 46.91 -87.40 90.96 50.65 2.73 46.61 29.07 8.54 14.27 38.97 6.54 0.04 1.66 0.90 24 V C H 75.79 9.74 10.43 20.88 102.36 102.30 -82.97 1.34 57.03 2.60 40.37 26.72 10.61 21.23 31.89 6.94 0.10 1.32 1.20 25 G C T 48.54 4.46 14.20 19.70 103.06 39.65 -20.60 -22.10 67.52 1.67 30.81 25.33 13.29 30.03 21.37 8.24 0.05 0.77 0.92 26 S C T 77.71 3.76 13.71 18.60 104.01 44.35 -87.50 -0.39 69.75 1.49 28.76 20.94 21.72 28.25 18.61 8.81 0.06 0.64 0.98 27 N C C 79.38 7.78 12.85 21.71 106.94 70.99 -96.25 85.15 73.98 2.02 24.00 40.63 15.62 18.05 16.99 6.62 0.02 0.86 1.21 28 C H H 73.92 7.40 14.02 22.50 96.08 167.56 -68.40 -29.07 34.98 0.91 64.11 13.88 8.33 15.26 57.03 4.54 0.08 0.40 0.46 29 G H H 40.36 4.10 16.94 21.68 93.57 58.91 -65.49 -35.91 26.08 0.53 73.39 7.37 4.71 15.34 67.96 4.01 0.09 0.26 0.26 30 A H H 40.63 7.99 15.95 25.12 92.96 55.75 -66.74 -38.70 12.16 0.47 87.37 5.87 1.96 5.08 83.68 2.94 0.03 0.29 0.15 31 I H H 59.57 10.47 16.12 27.27 92.92 52.85 -65.38 -41.44 4.03 0.25 95.72 2.05 0.61 1.57 94.37 1.17 0.01 0.16 0.06 32 I H H 85.78 4.93 19.45 24.78 92.26 50.73 -64.74 -41.69 1.60 0.08 98.33 0.68 0.19 0.72 97.65 0.68 0.00 0.05 0.01 33 G H H 32.41 5.31 18.65 24.68 91.96 50.97 -64.63 -41.08 1.48 0.04 98.48 0.44 0.14 0.83 97.83 0.72 0.00 0.03 0.01 34 L H H 68.18 9.40 17.98 27.72 92.17 50.50 -65.70 -40.94 1.60 0.03 98.37 0.34 0.14 1.03 97.73 0.73 0.00 0.02 0.01 35 M H H 80.31 8.60 18.96 27.81 92.20 50.54 -65.75 -41.26 2.60 0.05 97.35 0.48 0.23 1.79 96.78 0.67 0.01 0.03 0.01 36 V H H 79.52 4.08 21.05 25.10 92.41 48.79 -65.58 -41.68 4.01 0.06 95.92 0.83 0.42 2.64 95.55 0.50 0.01 0.03 0.02 37 G H H 27.93 6.85 18.93 26.51 92.20 50.59 -64.70 -41.26 3.99 0.03 95.98 0.86 0.36 2.49 95.88 0.38 0.00 0.01 0.01 38 G H H 24.58 9.80 17.97 28.22 92.40 51.97 -65.01 -40.96 2.80 0.03 97.18 0.73 0.28 1.57 97.10 0.30 0.00 0.01 0.01 39 V H H 71.59 6.26 20.02 26.40 92.53 50.00 -65.40 -41.69 0.74 0.01 99.25 0.22 0.07 0.36 99.24 0.10 0.00 0.00 0.00 40 V H H 73.59 4.62 20.30 25.15 92.27 49.98 -65.06 -42.18 0.30 0.00 99.70 0.08 0.02 0.14 99.71 0.05 0.00 0.00 0.00 41 I H H 73.92 7.15 19.58 26.91 92.11 49.50 -64.80 -41.93 0.21 0.00 99.79 0.04 0.01 0.11 99.81 0.03 0.00 0.00 0.00 42 A H H 40.11 8.61 18.25 27.33 92.11 51.04 -64.56 -41.54 0.22 0.00 99.78 0.04 0.01 0.12 99.81 0.02 0.00 0.00 0.00 43 T H H 62.36 5.81 19.49 25.71 92.10 51.03 -64.97 -41.56 0.17 0.00 99.83 0.02 0.01 0.10 99.86 0.01 0.00 0.00 0.00 44 V H H 67.11 6.04 19.23 25.78 91.82 50.17 -64.81 -42.16 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 45 I H H 68.04 8.57 18.61 27.20 92.15 49.56 -64.82 -42.22 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 66.35 6.77 19.03 25.84 92.10 49.10 -64.80 -42.29 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 47 I H H 82.18 4.47 19.54 24.25 91.71 49.26 -64.76 -42.12 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 48 T H H 47.55 7.87 17.62 26.42 91.85 50.15 -64.46 -41.80 0.25 0.00 99.75 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 49 L H H 62.71 8.31 17.49 26.29 92.04 50.15 -64.68 -41.62 0.34 0.00 99.66 0.02 0.01 0.26 99.61 0.09 0.00 0.00 0.00 50 V H H 67.28 4.45 18.05 22.80 92.05 49.86 -64.69 -41.93 0.70 0.01 99.30 0.06 0.03 0.54 99.13 0.23 0.00 0.00 0.00 51 M H H 80.44 4.35 16.57 21.88 92.14 50.09 -65.55 -40.50 1.91 0.01 98.07 0.21 0.13 1.49 97.53 0.63 0.00 0.01 0.00 52 L H H 59.03 8.30 13.17 22.96 92.80 51.84 -66.26 -38.14 5.15 0.05 94.81 0.72 0.48 3.85 93.35 1.54 0.02 0.02 0.02 53 K H H 117.90 5.23 13.79 19.89 92.81 53.55 -68.46 -31.27 12.41 0.09 87.50 1.50 1.16 9.60 85.66 1.95 0.04 0.04 0.04 54 K H H 141.00 2.09 13.53 16.04 95.73 52.51 -80.41 -14.70 28.23 0.31 71.46 4.46 4.22 20.06 68.07 2.79 0.09 0.13 0.18 55 K C H 122.88 4.57 11.38 17.34 103.31 61.80 -88.81 18.36 54.26 1.48 44.25 16.85 14.20 24.65 38.75 4.05 0.10 0.62 0.77 56 Q C C 125.02 3.79 12.19 17.28 104.12 -136.97 -77.11 52.69 67.16 2.94 29.89 34.95 10.29 21.86 24.33 5.71 0.02 1.67 1.17 57 Y C C 131.20 6.65 10.18 18.26 110.74 150.00 -95.95 110.58 67.99 5.80 26.21 41.68 12.06 13.94 18.68 7.92 0.03 3.58 2.10 58 T C C 85.97 4.79 11.31 17.74 112.27 112.19 -103.66 104.39 69.89 8.77 21.34 40.92 15.11 13.76 14.22 7.52 0.07 6.08 2.32 59 S C C 72.75 4.60 11.30 17.58 114.71 108.10 -97.87 129.57 69.11 14.39 16.50 39.09 17.84 12.54 9.90 6.76 0.10 11.17 2.60 60 I C C 107.58 5.58 10.34 17.59 115.27 -155.10 -101.41 127.56 63.11 23.25 13.65 39.64 15.13 8.50 9.16 5.05 0.10 18.91 3.51 61 H C C 122.63 4.93 10.87 17.49 115.68 -160.96 -101.55 126.25 63.84 25.48 10.68 45.22 9.94 8.22 6.97 4.21 0.03 21.81 3.60 62 H C C 140.40 3.71 11.33 16.43 111.07 -152.50 -98.54 108.06 74.31 13.58 12.12 34.27 15.40 25.54 7.44 4.46 0.05 10.85 1.99 63 G C T 49.29 4.51 12.25 17.86 106.46 -34.49 87.60 -4.23 76.08 9.81 14.11 25.44 20.91 30.84 8.51 5.04 0.08 7.56 1.62 64 V C E 89.31 6.36 11.62 19.22 114.40 110.44 -98.45 129.36 44.19 36.72 19.09 24.83 12.16 9.47 13.89 5.64 0.42 29.30 4.29 65 V E E 77.26 7.96 11.71 21.01 117.32 -148.90 -103.43 132.18 33.98 46.19 19.83 22.51 7.09 5.80 15.36 5.48 0.15 40.24 3.37 66 E E E 121.35 4.78 15.50 21.45 113.13 -146.84 -91.77 122.03 38.50 42.27 19.23 27.51 6.03 5.19 14.53 5.46 0.08 38.22 2.99 67 V C C 60.91 12.18 9.79 22.32 116.79 -161.82 -101.96 130.78 58.24 25.71 16.05 44.20 7.86 4.77 12.53 4.44 0.04 23.06 3.10 68 D C C 93.74 4.55 13.61 19.40 110.69 -145.40 -87.77 118.25 78.45 8.87 12.68 61.66 8.80 7.37 7.53 5.56 0.00 7.13 1.94 69 A C T 77.78 4.44 11.69 17.70 98.97 -138.98 -76.54 -14.48 81.04 2.76 16.21 19.42 18.13 44.28 6.08 9.37 0.03 1.67 1.02 70 A C T 82.30 2.41 13.46 16.70 99.08 59.14 -85.37 2.02 84.22 3.60 12.18 25.06 16.30 43.81 3.82 7.67 0.01 2.27 1.07 71 V C C 47.87 12.74 8.14 21.21 119.20 101.20 -99.86 139.94 89.46 6.19 4.35 51.71 34.88 2.83 2.42 1.77 0.01 2.19 4.20 72 T C C 61.65 3.72 15.07 19.79 119.39 -121.94 -79.09 158.99 98.70 0.63 0.67 92.46 6.04 0.25 0.61 0.08 0.00 0.23 0.34 73 P H H 84.53 4.96 13.39 19.97 91.15 -109.67 -57.76 -38.14 6.05 0.04 93.91 1.49 1.01 3.61 91.96 1.89 0.01 0.02 0.02 74 E H H 105.98 5.52 15.56 22.23 92.16 53.29 -64.68 -39.52 3.99 0.04 95.97 0.79 0.45 2.68 94.19 1.85 0.01 0.02 0.01 75 E H H 81.78 7.39 15.38 24.01 92.29 48.70 -66.32 -39.27 1.98 0.04 97.98 0.67 0.24 1.09 96.34 1.63 0.00 0.02 0.00 76 R H H 108.07 5.59 17.06 23.60 92.14 51.46 -64.44 -41.36 0.91 0.01 99.08 0.31 0.10 0.44 98.71 0.43 0.00 0.01 0.00 77 H H H 81.88 6.17 18.56 25.63 92.19 49.80 -64.66 -41.40 0.87 0.01 99.12 0.22 0.07 0.49 98.96 0.25 0.00 0.01 0.00 78 L H H 46.51 10.25 16.81 28.35 92.41 50.11 -64.86 -41.65 0.73 0.01 99.26 0.16 0.06 0.42 99.14 0.21 0.00 0.00 0.00 79 S H H 38.40 6.17 17.73 25.42 91.66 51.36 -63.70 -41.32 1.12 0.01 98.87 0.24 0.10 0.65 98.73 0.27 0.00 0.01 0.00 80 K H H 102.38 3.67 19.29 23.13 92.11 50.45 -65.47 -39.91 2.39 0.03 97.58 0.43 0.22 1.60 97.19 0.53 0.01 0.01 0.01 81 M H H 52.60 9.45 14.29 25.39 92.61 50.79 -66.22 -39.32 3.69 0.08 96.22 0.97 0.48 2.22 95.35 0.91 0.01 0.04 0.02 82 Q H H 86.28 8.30 13.87 23.25 93.39 52.67 -67.27 -37.19 6.89 0.17 92.94 1.93 0.88 4.22 91.18 1.63 0.03 0.09 0.05 83 Q H H 131.04 1.87 15.42 17.52 93.15 54.26 -69.46 -29.75 16.29 0.20 83.51 2.04 1.67 12.67 81.73 1.64 0.07 0.09 0.09 84 N C T 101.77 2.96 14.19 17.87 98.34 42.51 -94.74 -0.15 57.03 0.34 42.63 3.66 5.74 45.84 42.25 2.08 0.07 0.13 0.23 85 G C T 43.18 5.38 13.71 20.48 102.09 -111.62 80.71 8.98 92.97 0.74 6.28 20.40 14.22 58.88 3.34 2.42 0.00 0.36 0.37 86 Y C C 106.43 10.06 11.47 22.19 106.94 120.23 -90.34 83.18 90.70 1.99 7.30 55.64 15.83 19.27 2.26 4.89 0.00 1.01 1.10 87 E C C 123.86 4.35 15.33 21.01 107.96 152.03 -91.32 87.95 90.99 2.20 6.80 52.65 23.06 15.35 2.20 4.42 0.00 1.02 1.29 88 N C C 53.40 10.83 11.70 23.80 114.74 119.30 -95.72 124.29 95.71 1.01 3.28 70.38 23.33 1.91 2.55 0.76 0.00 0.33 0.73 89 P C H 76.02 5.55 15.89 22.94 93.17 -140.04 -62.66 -27.22 52.67 0.43 46.90 14.96 6.34 31.08 40.15 6.99 0.02 0.22 0.24 90 T H H 52.83 9.85 15.34 26.14 92.99 60.70 -67.94 -33.58 43.84 0.71 55.44 11.01 5.09 27.91 48.16 6.99 0.09 0.40 0.35 91 Y H H 65.70 11.81 13.87 26.58 93.54 57.63 -65.83 -38.29 19.00 1.28 79.71 11.61 3.53 5.67 69.77 8.16 0.03 0.87 0.36 92 K H H 110.66 3.87 17.81 22.25 92.73 59.46 -64.69 -40.80 9.64 0.75 89.61 5.44 1.55 3.58 82.83 5.81 0.02 0.64 0.14 93 F H H 89.67 5.50 17.09 23.70 92.16 51.41 -64.69 -41.67 6.81 0.57 92.62 2.90 1.11 3.33 85.80 6.21 0.03 0.53 0.09 94 F H H 59.62 10.88 14.50 26.59 92.52 50.31 -66.05 -40.42 6.66 0.49 92.85 2.99 1.12 3.05 86.71 5.59 0.03 0.43 0.09 95 E H H 85.87 6.34 15.47 23.17 92.08 53.39 -64.52 -39.23 10.96 0.74 88.30 4.76 1.77 5.14 82.63 4.91 0.04 0.58 0.17 96 Q H H 106.54 2.50 16.51 19.12 92.69 51.20 -67.35 -34.73 19.20 0.76 80.04 6.66 2.95 10.23 75.10 4.25 0.07 0.47 0.25 97 M H H 80.44 7.03 13.13 21.72 95.30 53.54 -73.96 -28.13 32.51 1.02 66.47 15.24 5.93 12.79 61.45 3.60 0.05 0.50 0.43 98 Q H H 91.63 7.18 12.35 20.82 97.65 67.60 -73.17 -22.20 46.22 1.26 52.52 24.04 7.88 14.88 48.75 3.29 0.03 0.60 0.52 99 N C H 96.28 3.64 12.99 17.79 102.00 60.35 -84.29 13.70 58.95 1.01 40.04 33.89 8.51 16.38 36.19 4.09 0.01 0.45 0.47 100 E H H 119.09 4.57 11.64 17.76 97.81 78.98 -72.24 -19.71 41.76 1.08 57.16 24.56 7.93 10.42 45.57 10.50 0.02 0.53 0.47 101 Q H H 111.90 4.60 12.02 18.16 99.28 69.79 -79.02 -16.81 34.83 1.26 63.91 16.24 6.19 12.29 48.01 16.04 0.04 0.73 0.46 102 K H H 123.26 4.68 13.13 19.20 104.71 72.87 -85.57 36.26 35.98 2.30 61.72 17.36 6.41 12.40 45.72 15.86 0.08 1.42 0.74 103 L H H 85.15 7.49 12.43 21.17 107.99 85.35 -89.76 93.52 41.30 4.71 53.98 22.97 8.45 11.72 41.60 10.73 0.16 2.88 1.48 104 I C C 70.16 9.92 10.86 21.94 113.23 85.28 -96.93 126.01 59.34 6.45 34.21 38.90 12.35 8.49 30.51 3.91 0.07 3.40 2.36 105 S C C 56.33 4.82 13.29 19.52 115.54 -151.41 -92.56 148.93 75.76 2.50 21.73 58.59 7.58 8.00 20.59 2.86 0.00 1.41 0.96 106 E H H 125.81 4.63 11.82 17.98 96.40 -125.31 -68.75 -27.90 42.65 1.28 56.07 22.99 9.11 11.87 44.91 9.90 0.04 0.64 0.54 107 E H H 127.55 2.40 13.03 16.36 95.88 59.09 -71.52 -35.62 35.53 0.79 63.68 12.41 6.82 16.62 50.05 13.22 0.10 0.42 0.37 108 D H H 79.31 4.70 12.68 18.81 97.32 53.57 -76.96 -19.61 35.78 1.23 62.99 16.81 6.19 13.36 48.68 13.70 0.07 0.69 0.50 109 L H H 73.03 7.61 11.06 20.21 94.80 68.20 -70.34 -32.61 33.16 1.80 65.03 19.89 6.49 8.75 53.40 9.78 0.05 1.02 0.62 110 L H H 85.60 5.29 12.23 19.06 96.77 59.53 -73.98 -28.69 36.13 2.80 61.07 22.93 6.56 8.87 50.80 8.21 0.05 1.71 0.87 111 E H H 113.92 3.14 13.33 17.53 100.08 65.40 -77.38 -17.51 42.15 2.45 55.39 26.94 7.01 9.86 46.44 7.44 0.03 1.50 0.77 112 H H H 103.76 5.42 11.76 18.66 101.18 62.77 -82.52 -0.77 48.82 1.93 49.25 30.98 7.63 11.51 41.10 6.95 0.02 1.06 0.74 113 H C H 105.03 5.76 10.98 18.27 102.10 82.75 -80.39 -4.62 53.99 1.63 44.38 34.42 8.16 12.27 36.38 7.22 0.01 0.83 0.70 114 H C C 119.95 3.69 11.11 16.29 100.98 73.51 -82.57 -1.51 57.38 1.53 41.09 33.85 9.28 15.07 31.58 8.72 0.02 0.76 0.72 115 H C C 118.84 3.82 10.20 15.63 102.61 70.75 -84.64 7.74 61.08 1.61 37.31 34.92 10.34 16.36 26.61 10.15 0.02 0.79 0.81 116 H C C 123.74 3.76 9.33 14.77 103.50 82.04 -86.38 18.80 65.98 1.72 32.30 37.26 11.37 17.57 21.72 10.33 0.01 0.84 0.90 117 H C C 131.65 3.22 8.63 13.56 105.52 94.88 -88.48 38.56 73.32 1.97 24.71 42.72 11.87 18.92 15.56 8.92 0.01 1.02 0.97 118 H C C 135.26 2.97 7.98 12.75 108.36 94.51 -91.60 85.37 85.35 1.35 13.31 69.39 3.50 13.49 8.27 3.89 0.00 0.75 0.72 119 H C C 138.82 3.18 10.28 15.19 108.15 -154.89 -90.85 95.15 99.73 0.10 0.17 99.17 0.28 0.37 0.07 0.03 0.00 0.05 0.02