# 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 103.34 5.66 12.10 19.20 110.29 -158.57 -85.40 124.83 99.88 0.05 0.07 99.83 0.06 0.04 0.04 0.00 0.00 0.02 0.01 1 N C C 96.67 2.94 10.99 15.15 107.19 -148.75 -82.40 106.05 52.28 2.88 44.84 47.97 0.70 3.39 44.47 0.81 0.00 0.79 1.87 2 L H H 108.20 3.53 9.38 14.41 94.12 87.62 -66.03 -36.41 9.03 0.07 90.90 3.94 1.21 3.45 90.44 0.90 0.00 0.03 0.03 3 M H H 124.59 1.32 12.07 13.40 92.40 52.96 -65.40 -40.07 3.60 0.05 96.35 1.39 0.45 1.63 95.52 0.98 0.00 0.03 0.01 4 L H H 98.04 1.57 13.18 14.65 92.24 49.86 -65.52 -40.59 1.35 0.02 98.64 0.50 0.16 0.61 97.92 0.79 0.00 0.01 0.00 5 A H H 47.28 4.56 11.67 18.01 92.13 51.12 -64.23 -41.41 0.72 0.01 99.28 0.21 0.07 0.34 99.07 0.30 0.00 0.00 0.00 6 L H H 87.58 3.65 13.77 18.40 91.97 50.63 -64.53 -41.32 0.55 0.00 99.44 0.13 0.04 0.29 99.37 0.17 0.00 0.00 0.00 7 L H H 101.13 1.40 16.22 16.47 91.94 49.66 -64.83 -41.43 0.52 0.00 99.48 0.11 0.04 0.29 99.45 0.12 0.00 0.00 0.00 8 T H H 72.82 2.25 15.89 18.03 92.12 48.95 -64.89 -41.63 0.57 0.00 99.43 0.12 0.04 0.31 99.44 0.09 0.00 0.00 0.00 9 N H H 67.45 5.97 14.00 21.40 92.06 50.40 -64.99 -40.68 0.77 0.00 99.23 0.15 0.05 0.44 99.26 0.09 0.00 0.00 0.00 10 F H H 113.23 3.38 15.82 19.80 91.88 50.18 -65.11 -40.90 0.70 0.00 99.30 0.11 0.05 0.43 99.31 0.10 0.00 0.00 0.00 11 T H H 79.91 1.61 17.26 17.70 92.10 50.25 -64.66 -41.59 0.64 0.00 99.36 0.11 0.04 0.38 99.35 0.11 0.00 0.00 0.00 12 L H H 85.80 3.07 16.42 19.76 91.92 49.37 -65.07 -41.47 0.61 0.00 99.39 0.11 0.04 0.36 99.34 0.15 0.00 0.00 0.00 13 A H H 42.40 6.12 13.95 21.76 91.72 51.17 -63.57 -41.00 0.84 0.00 99.15 0.15 0.05 0.52 99.08 0.20 0.00 0.00 0.00 14 T H H 74.22 2.47 16.33 18.90 91.68 50.71 -64.41 -40.80 1.11 0.00 98.89 0.14 0.06 0.75 98.79 0.24 0.00 0.00 0.00 15 L H H 96.43 1.90 16.68 17.86 92.00 50.42 -64.88 -41.10 0.81 0.00 99.19 0.10 0.05 0.54 99.06 0.26 0.00 0.00 0.00 16 L H H 80.85 4.72 14.72 20.48 91.99 49.88 -64.81 -40.59 0.60 0.00 99.39 0.07 0.03 0.41 99.16 0.32 0.00 0.00 0.00 17 V H H 74.85 4.26 14.69 20.02 91.99 50.37 -64.62 -41.30 0.62 0.00 99.38 0.06 0.03 0.45 98.98 0.48 0.00 0.00 0.00 18 I H H 97.90 1.82 15.99 17.29 92.02 49.62 -64.85 -41.06 0.68 0.00 99.32 0.06 0.03 0.50 98.65 0.76 0.00 0.00 0.00 19 I H H 87.97 3.02 14.64 18.22 91.97 49.56 -65.25 -40.47 0.82 0.00 99.18 0.06 0.04 0.63 97.25 2.02 0.00 0.00 0.00 20 A H H 48.07 6.04 12.05 19.81 91.66 52.82 -65.36 -36.94 2.80 0.00 97.20 0.10 0.09 2.57 92.77 4.47 0.00 0.00 0.00 21 F H H 136.03 2.21 13.61 16.38 92.97 51.75 -71.03 -29.24 14.15 0.01 85.85 0.24 0.35 14.30 79.96 5.12 0.01 0.00 0.00 22 W H H 170.08 1.93 13.15 15.30 96.75 49.96 -83.63 -18.30 23.87 0.04 76.09 1.02 1.81 20.95 71.11 5.01 0.05 0.02 0.04 23 L H H 84.70 6.19 9.51 17.35 106.08 80.95 -79.25 99.41 37.52 0.60 61.87 14.86 10.79 12.12 33.53 28.06 0.04 0.26 0.34 24 P H G 87.87 3.40 11.98 16.74 100.98 54.64 -70.64 -9.81 39.20 0.57 60.23 20.52 4.73 13.28 28.91 31.99 0.01 0.31 0.25 25 Q H G 121.75 3.32 12.00 16.71 100.78 57.65 -82.28 2.68 39.74 1.13 59.13 20.25 6.00 13.12 27.16 32.37 0.02 0.60 0.47 26 L C C 94.41 6.37 10.78 18.66 105.94 89.05 -84.35 39.45 59.76 2.13 38.11 34.64 13.39 12.26 25.06 12.51 0.03 0.97 1.13 27 N C C 98.32 4.73 12.76 18.92 105.80 83.87 -93.12 72.74 75.84 2.13 22.03 53.74 10.27 11.10 16.36 6.34 0.00 1.11 1.08 28 V C C 80.13 6.79 11.77 20.06 107.43 127.53 -90.79 90.81 68.80 2.42 28.78 36.82 15.56 17.11 20.27 7.86 0.03 1.13 1.23 29 Y C C 122.99 6.49 12.27 20.14 107.02 64.21 -91.46 53.49 68.74 2.45 28.81 37.01 14.76 17.65 19.56 8.51 0.03 1.11 1.37 30 S C C 61.41 5.93 12.89 20.22 102.48 71.09 -81.28 -12.53 65.39 1.86 32.75 37.47 13.55 14.76 20.21 12.09 0.02 0.86 1.05 31 E C C 110.05 6.54 12.03 19.89 99.28 72.34 -78.54 -16.09 61.12 1.89 36.99 26.51 14.41 21.02 19.71 16.27 0.06 0.88 1.13 32 K C C 132.02 4.30 13.35 19.05 98.16 63.37 -77.69 -18.14 65.69 2.21 32.10 28.05 15.57 22.94 16.36 14.68 0.06 1.02 1.32 33 T C C 82.06 5.14 13.50 19.91 102.39 58.79 -93.21 -0.27 75.45 2.86 21.69 35.75 22.85 17.94 10.74 9.57 0.04 1.15 1.96 34 S C C 40.11 8.91 11.78 22.33 115.76 74.11 -101.94 134.75 95.16 2.62 2.22 62.12 30.76 2.12 1.23 0.86 0.00 0.85 2.07 35 P C T 73.67 7.12 13.44 22.05 95.10 -140.00 -65.69 -20.16 81.73 1.07 17.21 17.71 18.30 46.44 6.09 10.19 0.01 0.49 0.78 36 Y C T 119.89 7.54 12.57 21.22 100.68 57.16 -86.31 -2.10 74.67 3.92 21.41 17.24 15.29 42.50 7.24 13.26 0.11 1.95 2.41 37 E C T 109.96 5.96 13.44 20.70 99.09 78.59 -76.06 -19.30 64.94 6.52 28.55 16.28 15.84 33.67 6.83 20.29 0.18 3.05 3.86 38 C C T 73.67 6.73 12.96 20.85 98.09 45.11 -90.79 4.88 76.11 2.27 21.62 8.66 13.12 53.63 5.15 16.73 0.04 1.21 1.45 39 G C T 47.22 4.69 14.69 20.66 98.59 -98.82 84.57 6.25 88.81 3.26 7.93 25.87 22.39 40.74 1.42 6.43 0.01 1.64 1.50 40 F C C 90.30 8.72 11.01 21.34 116.36 134.01 -91.29 136.49 86.03 12.63 1.33 63.44 18.97 2.52 0.56 0.81 0.00 4.40 9.30 41 D C C 87.27 4.94 13.80 20.26 110.40 -131.62 -91.46 115.29 94.59 4.82 0.59 83.95 9.18 1.35 0.22 0.36 0.00 2.66 2.28 42 P C C 81.47 7.83 10.57 19.93 98.89 -157.28 -69.43 -11.61 92.28 2.09 5.63 39.59 18.09 34.86 1.09 4.43 0.00 1.14 0.79 43 M C T 132.19 2.87 11.39 15.39 103.01 69.60 -87.95 15.86 89.97 2.87 7.15 27.51 22.44 40.35 1.72 5.09 0.00 1.35 1.54 44 G C C 49.14 3.72 11.09 16.30 111.79 -22.80 93.25 -55.69 85.50 2.66 11.84 38.27 26.52 20.75 2.41 9.30 0.00 1.22 1.53 45 S C C 79.52 3.56 10.94 16.04 108.26 -26.70 -90.32 87.55 72.89 2.56 24.55 38.36 15.76 18.59 4.04 20.75 0.00 1.28 1.21 46 A C C 68.47 5.32 9.94 16.98 112.96 -129.94 -88.60 132.83 71.64 3.12 25.24 31.34 19.05 21.89 3.90 20.87 0.01 1.57 1.37 47 R C C 159.12 3.46 11.51 16.82 114.97 -149.19 -96.10 130.28 73.40 4.57 22.03 40.54 17.83 15.30 4.56 17.32 0.02 2.23 2.20 48 L C C 84.82 7.65 9.72 18.88 117.17 -150.01 -99.78 133.97 89.28 2.89 7.83 57.67 28.29 3.43 5.23 2.42 0.00 1.09 1.85 49 P C C 91.72 3.51 13.01 17.84 104.10 -117.80 -68.24 117.11 80.30 1.93 17.77 43.49 17.48 19.76 11.14 6.18 0.01 0.91 1.03 50 F C C 122.78 6.04 10.89 18.32 110.03 32.28 -89.96 110.74 73.13 2.99 23.88 36.23 17.48 20.31 15.82 7.07 0.04 1.23 1.82 51 S C C 51.88 5.86 11.78 19.30 113.89 -149.57 -88.41 145.00 63.69 2.17 34.14 47.43 8.29 7.69 29.75 4.65 0.01 0.88 1.30 52 M H H 122.62 2.67 12.95 16.59 93.80 -118.78 -63.40 -34.67 13.68 0.16 86.17 4.50 3.19 6.89 83.13 2.11 0.03 0.06 0.09 53 K H H 118.38 3.53 14.67 19.20 92.23 56.51 -65.04 -39.59 6.20 0.05 93.75 1.45 0.84 3.92 92.30 1.42 0.01 0.02 0.02 54 F H H 72.43 9.64 13.16 23.97 92.33 50.94 -65.39 -40.82 1.26 0.01 98.73 0.32 0.14 0.72 98.19 0.63 0.00 0.00 0.00 55 F H H 100.97 5.14 15.91 22.21 92.12 51.04 -64.28 -41.20 0.30 0.00 99.70 0.08 0.03 0.16 99.58 0.16 0.00 0.00 0.00 56 L H H 86.46 3.27 18.00 21.37 91.97 49.90 -64.97 -41.21 0.24 0.00 99.76 0.05 0.02 0.14 99.70 0.09 0.00 0.00 0.00 57 V H H 52.87 8.28 16.86 26.26 92.16 49.93 -64.86 -41.91 0.17 0.00 99.83 0.04 0.01 0.10 99.80 0.05 0.00 0.00 0.00 58 A H H 33.23 9.46 16.14 26.98 91.60 51.29 -63.61 -41.41 0.15 0.00 99.85 0.03 0.01 0.09 99.84 0.04 0.00 0.00 0.00 59 I H H 87.07 3.41 19.92 23.18 91.97 49.42 -64.59 -41.58 0.19 0.00 99.81 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 60 T H H 54.00 6.00 18.35 25.16 91.76 50.01 -64.79 -41.69 0.26 0.00 99.74 0.02 0.01 0.19 99.72 0.07 0.00 0.00 0.00 61 F H H 66.20 11.49 16.68 28.74 91.96 50.59 -64.38 -41.44 0.25 0.00 99.75 0.02 0.01 0.18 99.70 0.09 0.00 0.00 0.00 62 L H H 76.65 6.39 18.51 25.36 91.73 50.88 -64.04 -41.18 0.22 0.00 99.78 0.01 0.01 0.16 99.68 0.13 0.00 0.00 0.00 63 L H H 87.08 3.10 19.79 22.59 91.91 49.69 -64.76 -41.63 0.38 0.00 99.62 0.03 0.02 0.31 99.43 0.21 0.00 0.00 0.00 64 F H H 66.13 9.65 17.15 27.77 92.04 49.71 -65.03 -41.39 0.70 0.00 99.30 0.06 0.03 0.52 99.14 0.24 0.00 0.00 0.00 65 D H H 52.36 10.80 16.63 28.13 91.79 51.28 -64.28 -40.88 0.77 0.00 99.22 0.10 0.04 0.51 99.09 0.26 0.00 0.00 0.00 66 L H H 88.16 3.48 19.46 22.58 91.98 50.21 -64.82 -40.67 0.71 0.00 99.29 0.06 0.03 0.52 98.95 0.44 0.00 0.00 0.00 67 E H H 84.01 5.50 18.38 24.57 92.22 50.21 -65.40 -40.44 1.11 0.00 98.89 0.09 0.05 0.86 98.30 0.70 0.00 0.00 0.00 68 I H H 47.25 12.04 15.36 28.22 92.27 50.27 -65.72 -40.36 1.33 0.00 98.67 0.09 0.07 1.05 97.24 1.55 0.00 0.00 0.00 69 A H H 49.56 7.77 15.93 24.68 91.50 53.73 -65.02 -36.77 2.77 0.01 97.22 0.13 0.12 2.37 92.72 4.65 0.00 0.00 0.00 70 L H H 107.68 2.82 17.59 20.56 92.78 52.39 -72.73 -26.42 11.86 0.01 88.12 0.23 0.36 11.74 82.17 5.45 0.02 0.01 0.01 71 L H H 79.68 7.76 14.90 23.59 95.70 51.58 -80.94 -17.89 25.19 0.09 74.71 1.10 1.82 22.43 69.69 4.77 0.10 0.04 0.07 72 L C T 71.09 10.95 13.21 24.64 105.44 79.40 -75.01 70.88 65.42 1.19 33.39 11.27 19.50 35.34 26.15 6.31 0.11 0.46 0.86 73 P C T 72.13 6.15 15.14 22.23 99.79 52.70 -71.75 -11.29 64.06 0.68 35.26 23.08 9.01 32.67 25.92 8.52 0.02 0.31 0.46 74 L H H 85.43 6.49 14.05 21.70 99.43 71.94 -71.30 -39.34 36.42 0.57 63.02 13.97 8.76 14.23 45.10 17.29 0.05 0.25 0.35 75 P H H 74.26 4.87 14.69 20.67 95.17 50.38 -66.94 -32.11 32.40 0.48 67.13 11.64 4.66 15.23 48.82 19.12 0.04 0.26 0.24 76 W H H 133.93 5.67 13.81 20.70 94.77 53.50 -70.56 -31.07 23.63 0.61 75.76 6.90 3.96 11.87 52.67 23.92 0.09 0.34 0.26 77 A H H 52.70 7.80 11.96 21.10 94.82 60.10 -68.83 -31.93 28.10 1.11 70.79 9.85 5.67 12.97 51.94 18.33 0.16 0.62 0.46 78 S H H 70.49 4.11 13.65 18.94 96.60 57.62 -74.57 -18.66 43.30 1.90 54.79 15.64 8.73 19.95 38.60 14.98 0.18 1.01 0.91 79 Q C H 121.16 3.53 13.13 17.83 98.07 60.69 -82.14 -13.67 58.62 2.30 39.07 26.84 13.31 19.67 28.09 9.77 0.08 1.11 1.11 80 T C C 73.97 6.68 10.82 18.91 110.71 81.26 -96.38 100.76 71.15 2.63 26.22 41.69 13.29 16.10 20.33 6.02 0.02 1.26 1.29 81 A C C 76.88 4.01 11.82 17.41 103.36 101.34 -88.26 6.13 80.25 1.64 18.11 44.00 20.75 15.46 13.67 4.52 0.01 0.71 0.88 82 N C C 88.11 3.90 12.20 17.46 113.86 108.62 -90.46 138.14 78.31 1.36 20.33 50.92 16.93 9.63 17.78 3.40 0.00 0.52 0.82 83 L H H 114.63 3.03 11.76 16.29 94.27 -131.44 -63.22 -35.17 21.38 0.21 78.42 7.33 4.47 10.45 73.47 4.05 0.04 0.09 0.11 84 N H H 104.26 2.18 14.20 16.70 92.94 55.63 -66.35 -37.05 17.19 0.17 82.64 4.81 2.58 10.12 78.14 4.15 0.04 0.09 0.08 85 T H H 50.57 6.89 12.54 21.11 93.34 51.16 -68.29 -38.13 11.72 0.16 88.13 4.48 1.61 5.91 84.09 3.74 0.02 0.09 0.06 86 M H H 85.88 5.86 14.42 21.69 92.20 53.21 -64.40 -41.07 2.90 0.02 97.08 0.99 0.41 1.39 96.44 0.76 0.00 0.01 0.01 87 L H H 92.86 2.72 17.28 19.92 92.42 50.28 -64.98 -41.30 1.03 0.01 98.96 0.34 0.10 0.50 98.74 0.31 0.00 0.00 0.00 88 T H H 62.09 4.74 16.88 22.33 92.10 49.90 -64.69 -41.70 0.64 0.00 99.35 0.18 0.05 0.34 99.17 0.25 0.00 0.00 0.00 89 M H H 68.26 7.99 15.91 25.14 91.97 50.07 -64.31 -41.13 0.32 0.00 99.68 0.06 0.02 0.18 99.59 0.15 0.00 0.00 0.00 90 A H H 50.15 4.83 17.20 22.99 91.89 51.19 -64.21 -41.20 0.22 0.00 99.78 0.03 0.01 0.13 99.75 0.07 0.00 0.00 0.00 91 L H H 87.71 3.47 18.45 21.88 92.01 50.59 -65.04 -41.26 0.16 0.00 99.84 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 92 F H H 90.57 6.47 17.28 24.43 91.98 50.35 -64.82 -41.50 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 93 L H H 68.79 7.35 17.11 25.48 91.83 50.14 -64.36 -41.64 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 94 I H H 86.94 4.42 18.65 23.39 91.97 50.00 -64.66 -41.72 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 95 I H H 80.63 5.19 18.49 23.94 91.99 49.72 -65.03 -41.95 0.18 0.00 99.82 0.01 0.01 0.13 99.79 0.06 0.00 0.00 0.00 96 L H H 67.83 7.73 17.81 26.42 91.88 49.38 -64.76 -41.52 0.28 0.00 99.72 0.02 0.01 0.22 99.65 0.10 0.00 0.00 0.00 97 L H H 74.55 6.94 18.22 25.85 92.11 49.82 -64.89 -40.83 0.69 0.00 99.31 0.04 0.03 0.58 99.19 0.17 0.00 0.00 0.00 98 A H H 52.31 4.51 19.02 23.99 92.01 50.71 -64.76 -41.31 1.20 0.00 98.80 0.09 0.07 0.96 98.63 0.25 0.00 0.00 0.00 99 V H H 66.67 5.77 19.20 25.22 91.94 49.70 -64.97 -41.75 1.19 0.00 98.81 0.14 0.10 0.86 98.63 0.27 0.00 0.00 0.00 100 S H H 36.02 8.04 17.24 26.75 91.77 50.97 -63.80 -41.69 1.09 0.00 98.90 0.18 0.09 0.74 98.65 0.34 0.00 0.00 0.00 101 L H H 76.58 5.63 18.82 25.05 92.12 50.24 -64.58 -41.31 0.79 0.00 99.21 0.09 0.05 0.57 98.95 0.34 0.00 0.00 0.00 102 A H H 49.97 4.42 18.35 23.38 91.63 51.10 -63.71 -42.09 0.73 0.01 99.27 0.09 0.05 0.52 98.96 0.37 0.00 0.00 0.00 103 Y H H 97.86 5.58 17.46 23.87 92.15 49.72 -65.00 -41.66 0.93 0.01 99.06 0.11 0.07 0.70 98.55 0.56 0.00 0.01 0.00 104 E H H 64.87 7.04 15.02 23.66 91.93 50.70 -64.21 -41.37 1.53 0.03 98.45 0.18 0.11 1.16 97.68 0.83 0.01 0.02 0.00 105 W H H 122.70 4.30 14.70 20.21 92.42 49.87 -65.32 -40.45 3.16 0.03 96.80 0.43 0.28 2.35 95.74 1.17 0.02 0.02 0.01 106 T H H 78.47 3.78 14.10 18.67 93.41 48.63 -69.06 -37.70 8.11 0.06 91.82 1.00 0.75 6.28 90.53 1.35 0.03 0.03 0.03 107 Q H H 109.48 3.58 13.04 17.80 95.35 49.46 -76.48 -28.84 23.41 0.15 76.44 1.93 2.43 19.19 74.35 1.87 0.08 0.06 0.09 108 K C T 133.53 2.96 12.32 16.22 98.62 41.55 -87.30 -2.56 56.53 0.44 43.03 4.48 7.44 43.39 41.73 2.43 0.08 0.16 0.29 109 G C T 47.04 3.68 11.65 16.79 102.82 -116.02 66.25 12.72 82.17 1.45 16.39 25.83 14.27 42.97 10.28 5.25 0.01 0.73 0.67 110 L C C 101.89 5.92 9.25 16.66 104.85 80.10 -81.84 63.74 77.11 7.03 15.85 48.61 13.77 15.28 7.61 7.96 0.02 4.78 1.96 111 E C C 132.20 2.43 11.40 15.16 111.35 146.41 -95.87 114.92 73.09 13.89 13.02 53.27 9.93 10.02 6.16 6.58 0.01 11.65 2.37 112 W C C 156.77 5.78 7.67 15.12 111.65 -152.62 -93.58 121.05 76.51 14.41 9.08 58.13 8.94 9.06 4.21 4.57 0.01 12.90 2.18 113 T C C 95.34 2.98 9.27 14.12 117.86 -164.40 -104.93 138.00 87.91 8.74 3.35 81.68 1.41 5.27 1.42 1.19 0.00 7.71 1.32 114 E C C 143.37 2.80 11.41 15.91 110.76 -125.54 -86.02 125.03 99.80 0.19 0.01 99.77 0.06 0.02 0.00 0.00 0.00 0.13 0.01