# 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 A C C 56.26 8.08 12.33 21.32 105.58 -137.62 -77.57 91.01 99.51 0.10 0.39 99.36 0.12 0.13 0.31 0.02 0.00 0.04 0.02 1 E C C 127.29 2.77 11.69 15.57 98.81 94.08 -71.78 -31.38 56.02 0.75 43.23 49.98 1.01 4.06 43.51 0.86 0.00 0.26 0.33 2 R H H 158.61 1.65 11.06 13.35 94.38 60.91 -67.44 -37.55 18.16 0.28 81.56 11.25 2.65 4.10 80.93 0.87 0.00 0.11 0.10 3 V H H 85.49 3.32 11.84 16.25 93.34 51.77 -66.58 -39.58 6.99 0.12 92.89 3.91 0.93 2.13 92.21 0.74 0.00 0.05 0.03 4 A H H 50.86 3.86 12.48 17.88 92.32 51.81 -64.65 -40.71 2.30 0.03 97.66 1.16 0.30 0.84 97.17 0.51 0.00 0.02 0.01 5 A H H 55.68 2.30 14.47 17.18 92.13 51.24 -64.55 -41.05 1.01 0.01 98.98 0.40 0.12 0.44 98.74 0.29 0.00 0.00 0.00 6 F H H 110.31 2.61 14.77 17.90 92.29 50.19 -64.94 -41.66 0.55 0.01 99.44 0.17 0.06 0.28 99.33 0.16 0.00 0.00 0.00 7 L H H 77.78 5.23 13.99 20.49 92.41 49.61 -65.34 -40.93 0.50 0.00 99.49 0.13 0.05 0.28 99.41 0.13 0.00 0.00 0.00 8 K H H 115.72 3.04 15.54 19.18 92.20 50.69 -64.61 -41.01 0.74 0.01 99.26 0.14 0.06 0.47 99.15 0.17 0.00 0.00 0.00 9 N H H 91.89 1.85 16.33 17.56 92.62 49.14 -65.62 -40.07 1.59 0.01 98.40 0.20 0.11 1.21 98.17 0.30 0.00 0.00 0.00 10 V H H 64.80 4.47 14.05 20.00 92.49 50.05 -65.43 -40.68 3.16 0.01 96.82 0.34 0.23 2.41 95.60 1.41 0.00 0.00 0.00 11 W H H 113.09 7.47 12.27 21.18 92.47 51.53 -67.58 -33.03 9.47 0.03 90.51 0.74 0.56 7.63 86.36 4.66 0.01 0.01 0.01 12 A H H 74.63 2.80 13.86 17.45 92.39 56.62 -71.48 -22.01 34.05 0.06 65.89 1.46 1.67 30.26 63.20 3.33 0.02 0.02 0.04 13 K C T 148.48 1.47 14.32 15.39 99.10 52.87 -87.80 -14.02 55.63 0.20 44.16 4.09 7.32 42.72 42.68 2.91 0.03 0.07 0.17 14 E C S 94.18 6.24 10.70 18.58 115.77 37.69 -104.31 124.16 94.43 0.61 4.96 34.37 56.95 2.69 4.86 0.52 0.00 0.16 0.45 15 P C C 72.74 5.00 12.50 19.16 108.70 -118.72 -68.11 137.10 81.61 1.29 17.09 72.23 3.34 4.13 17.85 1.27 0.00 0.50 0.68 16 V H H 91.76 5.17 12.30 18.92 94.75 -131.91 -65.05 -35.63 18.49 0.62 80.88 9.39 3.90 6.35 78.02 1.82 0.03 0.27 0.23 17 L H H 103.75 2.59 14.37 17.50 93.04 54.36 -66.48 -38.69 7.49 0.31 92.20 3.03 1.17 3.64 90.09 1.78 0.03 0.19 0.08 18 V H H 78.89 3.00 15.23 18.77 92.74 49.73 -66.27 -40.91 2.73 0.09 97.17 1.14 0.37 1.29 95.80 1.32 0.01 0.06 0.02 19 A H H 45.74 5.31 14.38 21.24 92.30 51.27 -64.34 -41.35 1.18 0.02 98.80 0.42 0.14 0.56 98.15 0.71 0.00 0.01 0.00 20 S H H 49.41 4.89 14.95 21.25 92.15 50.93 -64.58 -40.52 0.97 0.01 99.01 0.25 0.09 0.54 98.63 0.47 0.00 0.01 0.00 21 F H H 120.12 2.50 16.94 19.44 92.39 49.91 -65.65 -40.35 0.90 0.01 99.09 0.17 0.07 0.56 98.80 0.39 0.00 0.00 0.00 22 A H H 55.14 3.69 16.30 20.61 92.15 50.66 -64.88 -41.43 1.21 0.01 98.78 0.20 0.09 0.81 98.50 0.40 0.00 0.00 0.00 23 I H H 85.23 4.80 16.13 21.74 92.49 48.87 -65.46 -40.95 1.52 0.01 98.47 0.21 0.11 1.08 98.11 0.49 0.00 0.00 0.00 24 A H H 55.45 3.76 15.64 20.31 91.90 51.51 -63.97 -41.03 2.51 0.01 97.48 0.27 0.16 1.90 96.55 1.11 0.00 0.00 0.00 25 G H H 38.17 2.48 16.05 18.66 92.02 50.72 -65.10 -40.05 6.24 0.01 93.74 0.42 0.31 5.37 91.58 2.29 0.01 0.01 0.01 26 L H H 88.78 3.57 15.01 19.34 92.61 50.48 -67.89 -36.55 4.63 0.02 95.35 0.45 0.33 3.63 90.13 5.43 0.01 0.01 0.01 27 A H H 52.98 5.63 12.46 19.71 92.39 56.18 -65.67 -35.35 7.50 0.06 92.44 0.73 0.51 5.75 80.49 12.43 0.03 0.04 0.02 28 V H H 106.36 1.75 14.42 16.21 93.59 51.50 -72.60 -29.01 20.52 0.08 79.39 0.88 1.01 18.08 67.92 11.95 0.07 0.04 0.05 29 I H H 116.86 1.99 13.59 15.75 97.26 49.96 -82.83 -20.60 27.86 0.24 71.90 2.06 3.16 22.46 62.77 9.04 0.21 0.11 0.18 30 L H H 86.82 6.07 9.85 17.53 107.90 80.80 -78.85 106.53 36.28 0.99 62.73 17.91 9.58 9.30 33.04 29.23 0.03 0.46 0.45 31 P H G 89.82 3.76 11.78 16.99 98.74 -104.84 -69.18 -9.48 27.60 0.79 71.61 11.55 3.97 11.39 28.29 44.05 0.01 0.50 0.24 32 T H G 101.81 2.23 12.37 15.29 98.52 52.96 -82.55 -6.19 29.33 1.29 69.37 9.59 5.16 14.24 26.55 43.20 0.06 0.75 0.44 33 L C G 105.59 4.17 11.35 16.96 106.77 66.95 -89.92 59.34 48.59 3.53 47.88 19.69 13.97 16.49 20.60 25.52 0.19 1.60 1.95 34 S C C 50.94 6.94 9.98 18.63 114.55 102.43 -91.57 130.56 84.95 2.21 12.85 53.06 25.94 5.89 9.76 3.16 0.00 0.83 1.35 35 P C H 90.84 3.55 12.87 17.65 95.39 -136.48 -66.26 -25.61 60.71 1.21 38.08 23.51 14.94 23.37 31.00 5.95 0.06 0.53 0.64 36 Y H H 136.81 4.22 12.52 18.00 98.05 55.74 -79.06 -19.39 49.07 1.42 49.52 20.28 11.14 19.41 42.14 5.58 0.09 0.65 0.70 37 T H H 64.10 5.90 12.43 19.86 103.11 73.88 -73.73 -41.14 32.27 0.98 66.75 19.65 5.88 7.87 61.83 3.89 0.02 0.47 0.39 38 K H H 132.22 2.46 15.35 18.00 93.50 50.35 -65.62 -39.31 9.29 0.19 90.52 3.81 1.89 4.18 88.16 1.76 0.03 0.09 0.07 39 Y H H 121.74 3.49 16.02 20.11 93.02 50.41 -66.75 -40.52 3.87 0.08 96.06 1.34 0.60 1.99 94.90 1.09 0.01 0.04 0.02 40 S H H 34.99 8.13 13.58 23.51 92.51 51.89 -64.91 -41.23 1.81 0.03 98.16 0.72 0.22 0.82 97.59 0.62 0.01 0.02 0.01 41 L H H 76.10 4.85 15.75 21.86 92.29 51.11 -64.79 -40.90 0.94 0.02 99.03 0.30 0.10 0.48 98.70 0.40 0.00 0.01 0.00 42 M H H 95.75 2.57 17.16 19.64 92.30 50.16 -65.16 -41.12 0.84 0.02 99.14 0.21 0.08 0.48 98.80 0.40 0.00 0.01 0.00 43 I H H 70.90 5.63 15.10 22.14 92.46 49.22 -65.73 -40.94 1.02 0.01 98.96 0.19 0.09 0.65 98.58 0.47 0.00 0.01 0.00 44 N H H 64.62 8.80 12.69 22.81 92.45 51.67 -66.43 -35.52 2.99 0.01 97.00 0.35 0.20 2.26 96.28 0.90 0.00 0.00 0.00 45 R H H 163.39 2.07 15.26 17.81 92.52 53.32 -70.15 -28.22 10.29 0.02 89.69 0.35 0.42 9.67 88.51 1.01 0.01 0.00 0.01 46 A H H 77.00 2.40 13.98 16.74 96.26 48.51 -83.27 -14.93 20.36 0.05 79.59 0.81 1.77 17.86 78.72 0.76 0.04 0.01 0.04 47 T C S 54.90 8.10 9.86 19.63 118.79 56.37 -118.93 120.78 98.37 1.05 0.58 37.13 60.47 0.77 0.40 0.14 0.00 0.29 0.79 48 P C T 91.81 4.09 12.87 18.45 96.48 -143.22 -68.01 -14.32 82.34 1.69 15.97 25.73 11.18 44.29 1.36 15.86 0.00 0.99 0.60 49 Y C T 132.45 6.71 11.96 19.88 108.08 67.91 -91.48 73.49 81.40 3.85 14.74 17.91 15.52 47.22 1.24 14.55 0.01 2.26 1.29 50 N C C 97.08 5.30 14.21 20.99 110.15 101.85 -98.94 105.02 79.25 5.79 14.96 44.88 19.28 13.77 1.73 14.65 0.00 3.05 2.63 51 Y C C 97.93 10.58 10.51 22.02 116.94 -150.81 -102.46 127.18 91.87 6.91 1.21 61.97 26.37 3.34 0.40 0.89 0.00 3.24 3.79 52 P C S 89.19 4.76 14.59 20.52 98.17 -144.76 -73.21 -7.00 96.02 3.10 0.88 44.84 45.66 5.83 0.23 0.63 0.00 1.61 1.20 53 V C S 73.52 7.48 10.07 19.18 119.60 87.87 -106.52 134.70 91.61 6.39 2.00 35.36 51.91 4.65 0.79 1.03 0.00 2.89 3.38 54 P C C 82.15 4.56 12.02 18.20 112.22 -109.50 -66.44 148.68 89.75 4.80 5.44 68.57 12.54 8.35 1.56 3.96 0.00 2.77 2.25 55 L C C 119.02 3.75 10.06 15.63 111.30 -123.84 -84.01 129.96 78.80 9.56 11.64 47.79 17.81 13.14 3.39 8.09 0.03 4.51 5.24 56 R C C 155.11 3.52 10.08 15.31 110.83 -134.46 -90.90 116.39 78.22 9.42 12.36 42.82 18.51 17.13 3.08 9.07 0.03 4.70 4.65 57 D C C 92.57 4.84 9.18 15.68 108.14 -133.50 -93.10 97.85 81.84 6.86 11.30 41.82 19.69 20.54 2.25 8.86 0.01 3.20 3.62 58 D C T 105.30 3.15 10.96 15.55 100.44 -158.26 -89.26 10.42 86.90 3.09 10.01 30.16 21.31 35.49 1.63 8.20 0.01 1.42 1.78 59 G C T 48.78 4.66 10.56 16.77 100.53 -108.13 79.07 5.46 90.85 1.68 7.46 21.83 28.04 40.47 0.87 7.05 0.00 0.81 0.93 60 N C C 113.44 2.46 11.37 15.10 102.80 108.32 -89.80 18.98 90.36 4.16 5.48 37.35 32.24 20.44 0.75 5.08 0.00 1.83 2.31 61 M C C 89.27 7.06 8.60 17.20 110.92 78.13 -100.88 106.81 92.14 6.61 1.25 62.17 26.90 2.59 0.32 1.01 0.00 2.58 4.42 62 P C T 92.23 3.90 11.34 16.92 102.67 -146.29 -68.78 34.54 94.40 2.80 2.80 28.23 14.03 52.08 0.38 2.60 0.00 1.66 1.02 63 D C T 119.60 1.90 12.67 15.44 100.30 41.28 -89.83 12.28 95.49 2.27 2.24 21.82 19.53 54.04 0.26 2.23 0.00 1.39 0.73 64 V C S 74.41 7.38 9.86 19.02 118.82 110.08 -104.04 133.85 92.79 6.30 0.91 44.03 46.69 2.21 0.26 0.61 0.00 2.45 3.75 65 P C C 74.76 5.92 12.23 19.88 114.24 -107.05 -67.51 150.10 94.25 4.45 1.30 79.26 9.51 4.98 0.29 1.17 0.00 2.23 2.55 66 S C C 76.15 5.08 12.10 18.80 105.87 -124.67 -82.41 128.57 94.95 3.55 1.50 53.39 35.82 5.45 0.35 1.20 0.00 1.38 2.41 67 H C C 104.02 5.95 11.49 19.06 116.77 -117.43 -102.62 127.81 95.26 3.15 1.59 60.67 29.57 4.48 0.30 1.39 0.00 1.10 2.49 68 P C T 79.95 6.63 10.51 18.74 103.61 -123.61 -66.99 61.90 95.64 0.76 3.60 28.57 13.28 53.18 0.35 3.84 0.00 0.40 0.38 69 Q C T 140.56 1.93 12.16 15.03 101.27 8.34 -87.83 -0.17 94.72 1.47 3.81 22.48 18.85 52.88 0.41 3.91 0.00 0.75 0.71 70 D C C 74.03 5.68 9.97 17.59 112.94 92.47 -92.13 121.88 96.17 2.90 0.93 54.32 39.48 2.06 0.27 0.62 0.00 0.89 2.37 71 P C T 101.93 3.78 11.09 16.82 97.11 -146.43 -67.30 -12.16 97.05 0.79 2.16 27.79 24.04 45.13 0.33 1.93 0.00 0.41 0.38 72 Q C T 125.59 3.19 12.54 16.88 100.96 67.03 -89.33 -1.63 90.34 6.11 3.54 26.54 25.42 38.99 0.77 2.62 0.01 2.88 2.77 73 G C S 27.00 7.73 13.06 22.18 128.35 -120.06 113.21 -172.29 92.06 5.91 2.03 33.00 55.01 4.23 0.82 1.03 0.00 2.46 3.45 74 P C C 75.78 6.37 15.35 22.68 108.78 -34.44 -70.15 138.91 90.97 3.17 5.86 58.77 23.24 9.10 3.22 2.41 0.00 1.40 1.87 75 S C C 43.33 8.70 14.38 24.38 117.26 -126.93 -87.95 150.70 79.36 3.60 17.05 63.36 9.90 5.06 15.25 2.47 0.00 1.15 2.81 76 L H H 72.30 9.38 12.44 22.98 95.03 -122.54 -66.48 -27.20 16.64 0.36 83.00 9.10 3.50 5.70 75.41 5.91 0.02 0.19 0.17 77 E H H 109.41 2.39 15.59 18.29 92.42 68.51 -63.54 -38.32 5.91 0.11 93.98 1.77 0.83 3.28 84.00 9.99 0.02 0.08 0.03 78 W H H 93.77 6.45 12.24 20.67 92.48 53.27 -65.00 -39.65 3.49 0.05 96.45 0.85 0.42 2.05 84.44 12.18 0.00 0.04 0.01 79 L H H 64.73 9.57 10.38 21.09 92.92 52.38 -67.16 -35.48 4.37 0.05 95.58 1.01 0.53 2.59 83.63 12.20 0.00 0.03 0.01 80 K H H 138.00 2.61 11.91 15.81 92.77 56.03 -67.67 -29.66 23.14 0.16 76.71 2.57 2.00 18.07 67.60 9.53 0.05 0.07 0.10 81 R C H 170.82 1.39 12.18 13.76 96.25 52.54 -82.05 -9.68 52.14 0.18 47.69 12.25 1.20 38.38 43.19 4.78 0.00 0.06 0.15 82 L C C 85.99 9.15 9.91 19.81 100.77 89.24 -72.97 10.27 99.68 0.03 0.29 98.93 0.27 0.48 0.28 0.02 0.00 0.01 0.01