# 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 R C C 133.42 5.70 12.59 19.73 112.75 -139.56 -83.70 136.79 99.88 0.03 0.09 99.72 0.12 0.07 0.06 0.00 0.00 0.01 0.01 1 S C C 62.30 3.56 12.02 16.88 114.23 -114.48 -76.95 159.10 69.29 0.49 30.22 64.49 0.92 3.61 29.48 1.06 0.00 0.16 0.29 2 R H H 151.93 3.78 11.07 16.48 94.55 -108.23 -63.04 -36.62 15.73 0.13 84.14 7.19 2.89 6.03 81.26 2.51 0.01 0.05 0.06 3 K H H 123.69 3.92 13.38 18.59 92.82 53.57 -65.68 -39.43 9.37 0.09 90.54 3.72 1.56 4.22 87.43 2.98 0.01 0.04 0.04 4 E H H 103.71 3.64 14.85 19.28 92.32 50.48 -66.04 -39.49 7.19 0.08 92.73 3.02 1.13 3.11 89.67 3.00 0.01 0.04 0.03 5 S H H 51.37 4.24 15.59 20.96 92.71 50.74 -65.81 -40.42 8.69 0.08 91.23 3.64 1.26 3.82 89.44 1.77 0.01 0.03 0.04 6 Y H H 89.80 7.87 16.49 25.30 92.10 50.57 -65.38 -40.80 4.76 0.03 95.21 1.63 0.59 2.28 94.64 0.83 0.00 0.01 0.01 7 S H H 36.82 9.06 16.40 26.78 91.96 52.07 -64.02 -40.99 3.46 0.02 96.52 0.99 0.33 1.91 96.30 0.46 0.00 0.01 0.00 8 V H H 69.30 4.68 18.97 24.07 91.95 50.61 -64.47 -42.06 1.79 0.01 98.21 0.24 0.13 1.33 98.08 0.21 0.00 0.00 0.00 9 Y H H 106.62 4.92 19.83 25.06 91.90 50.24 -64.29 -42.62 0.46 0.00 99.54 0.07 0.03 0.28 99.55 0.06 0.00 0.00 0.00 10 V H H 38.19 11.91 17.58 30.37 91.88 49.52 -64.28 -42.66 0.14 0.00 99.86 0.01 0.01 0.09 99.85 0.03 0.00 0.00 0.00 11 Y H H 78.54 10.84 17.74 29.26 91.90 50.51 -64.14 -41.47 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 12 K H H 108.14 3.14 20.86 23.44 91.93 50.30 -64.76 -41.56 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 13 V H H 53.21 6.10 18.41 25.75 91.73 49.00 -64.43 -42.25 0.23 0.00 99.77 0.01 0.01 0.17 99.77 0.03 0.00 0.00 0.00 14 L H H 27.17 13.55 13.79 28.60 91.84 50.34 -64.42 -40.29 0.37 0.00 99.63 0.03 0.02 0.27 99.58 0.10 0.00 0.00 0.00 15 K H H 105.03 6.71 15.08 23.01 91.92 52.77 -65.10 -37.03 1.72 0.00 98.28 0.08 0.07 1.51 97.99 0.35 0.00 0.00 0.00 16 Q H H 129.77 1.38 16.78 17.31 93.27 49.54 -69.47 -37.01 4.50 0.00 95.50 0.12 0.18 4.14 95.21 0.33 0.00 0.00 0.00 17 V H H 81.96 4.97 14.32 20.40 98.96 36.94 -86.19 -34.18 8.13 0.02 91.85 0.31 0.99 6.59 91.88 0.19 0.02 0.00 0.02 18 H C C 70.43 8.69 10.14 20.44 112.21 23.12 -133.14 70.61 99.27 0.19 0.53 62.11 36.23 0.86 0.46 0.09 0.00 0.04 0.21 19 P C T 92.30 4.48 10.99 17.87 94.74 170.29 -63.16 -25.82 85.99 0.21 13.80 14.43 6.50 64.69 2.78 11.35 0.00 0.11 0.14 20 D C T 129.15 0.67 14.22 13.48 95.73 54.31 -84.41 4.00 82.42 0.19 17.39 7.15 8.98 65.78 4.49 13.36 0.00 0.09 0.15 21 T C C 58.49 8.91 10.74 20.89 99.90 89.70 -90.43 -2.30 82.35 0.54 17.10 31.79 31.09 19.93 6.32 10.13 0.00 0.19 0.56 22 G C C 41.38 4.16 16.57 21.67 102.09 -125.25 78.11 2.70 83.39 0.92 15.69 44.97 24.37 13.85 12.91 2.90 0.00 0.31 0.69 23 I H H 60.41 11.60 13.26 25.58 98.73 115.14 -77.67 -27.91 46.71 0.80 52.49 33.60 7.49 5.62 50.66 1.93 0.00 0.26 0.44 24 S H H 52.05 8.35 15.19 24.60 94.47 69.95 -64.64 -42.54 14.47 0.14 85.39 9.02 2.10 3.63 83.64 1.48 0.00 0.06 0.06 25 S H H 77.39 1.85 18.26 19.46 92.93 47.58 -66.74 -39.54 3.51 0.03 96.47 1.26 0.52 1.64 95.47 1.07 0.00 0.01 0.01 26 K H H 123.39 2.64 18.45 21.08 92.54 48.81 -66.81 -40.52 1.93 0.02 98.06 0.60 0.24 0.98 97.40 0.76 0.00 0.01 0.00 27 A H H 21.59 12.73 14.13 28.08 92.42 50.51 -64.93 -41.73 1.34 0.01 98.66 0.38 0.13 0.68 98.36 0.44 0.00 0.00 0.00 28 M H H 79.21 7.77 17.13 25.98 92.01 51.31 -63.59 -41.06 0.64 0.00 99.35 0.16 0.05 0.32 99.30 0.17 0.00 0.00 0.00 29 G H H 38.43 2.33 19.38 20.98 91.65 51.16 -63.81 -41.93 0.74 0.00 99.26 0.13 0.04 0.44 99.24 0.15 0.00 0.00 0.00 30 I H H 82.27 4.48 18.92 23.93 92.02 49.04 -65.12 -41.95 0.56 0.00 99.44 0.09 0.03 0.33 99.42 0.12 0.00 0.00 0.00 31 M H H 56.47 11.73 16.04 28.55 92.03 50.24 -64.35 -41.59 0.51 0.00 99.49 0.09 0.03 0.28 99.48 0.11 0.00 0.00 0.00 32 N H H 80.78 5.12 18.33 24.25 91.86 50.91 -63.91 -40.19 0.85 0.00 99.15 0.13 0.05 0.53 99.14 0.15 0.00 0.00 0.00 33 S H H 61.91 2.19 19.45 20.69 91.93 50.66 -65.13 -41.14 1.32 0.00 98.68 0.15 0.07 0.91 98.66 0.20 0.00 0.00 0.00 34 F H H 88.28 6.43 18.08 25.51 92.14 49.46 -65.13 -41.85 1.31 0.00 98.68 0.19 0.09 0.86 98.63 0.22 0.00 0.00 0.00 35 V H H 45.77 10.61 16.08 27.82 91.99 50.17 -64.38 -41.95 0.94 0.00 99.06 0.20 0.08 0.53 99.06 0.13 0.00 0.00 0.00 36 N H H 83.66 3.35 18.87 22.40 91.82 50.69 -64.18 -40.75 1.05 0.00 98.95 0.21 0.07 0.61 98.97 0.13 0.00 0.00 0.00 37 D H H 78.29 2.50 19.41 21.28 92.09 50.13 -65.16 -40.99 1.09 0.00 98.91 0.18 0.07 0.69 98.92 0.14 0.00 0.00 0.00 38 I H H 54.56 9.12 17.06 27.47 91.99 50.07 -64.63 -42.48 0.56 0.00 99.43 0.08 0.03 0.35 99.43 0.11 0.00 0.00 0.00 39 F H H 79.69 10.07 16.73 27.57 91.82 50.56 -63.81 -41.30 0.33 0.00 99.67 0.05 0.02 0.19 99.64 0.10 0.00 0.00 0.00 40 E H H 117.40 2.26 19.80 21.56 91.83 50.33 -64.68 -40.96 0.44 0.00 99.56 0.05 0.02 0.28 99.50 0.14 0.00 0.00 0.00 41 R H H 128.45 3.22 19.67 22.84 92.01 49.22 -65.51 -41.29 1.00 0.00 98.99 0.10 0.06 0.71 98.91 0.21 0.00 0.00 0.00 42 I H H 42.84 12.61 16.54 29.90 92.36 47.88 -65.85 -41.51 2.14 0.01 97.84 0.31 0.19 1.41 97.81 0.27 0.00 0.01 0.00 43 A H H 45.12 7.37 17.82 26.36 91.76 51.31 -63.48 -41.10 4.19 0.02 95.79 0.75 0.38 2.67 95.67 0.51 0.00 0.01 0.01 44 G H H 37.71 2.39 20.63 22.10 92.11 50.44 -64.22 -42.35 9.20 0.04 90.76 1.47 0.87 6.39 90.31 0.92 0.01 0.02 0.02 45 E H H 84.26 6.05 19.91 26.57 92.32 48.94 -66.16 -40.62 6.12 0.04 93.84 1.58 0.80 3.51 92.85 1.23 0.01 0.02 0.02 46 A H H 24.42 13.50 15.24 29.62 92.06 52.33 -63.78 -40.55 3.97 0.03 95.99 1.26 0.47 2.04 94.14 2.07 0.00 0.02 0.01 47 S H H 58.74 4.12 19.42 23.91 91.88 51.84 -64.44 -39.53 4.91 0.05 95.04 1.19 0.50 3.00 91.87 3.38 0.01 0.03 0.01 48 R H H 135.94 2.18 20.01 21.36 92.31 50.27 -65.96 -39.79 6.55 0.09 93.36 1.27 0.73 4.44 89.52 3.93 0.02 0.05 0.02 49 L H H 50.82 8.83 15.23 25.70 92.73 50.11 -67.12 -38.12 8.82 0.20 90.99 2.17 1.17 5.45 86.04 4.96 0.03 0.12 0.06 50 A H H 39.12 8.90 12.90 23.40 92.99 55.71 -65.98 -35.08 20.31 0.46 79.24 4.66 2.24 13.25 73.00 6.34 0.06 0.28 0.17 51 H H H 132.16 2.11 14.94 17.24 95.29 53.46 -73.06 -25.54 34.10 0.68 65.22 6.63 3.82 23.70 58.60 6.46 0.09 0.38 0.31 52 Y H H 149.80 2.84 12.61 16.44 99.25 52.45 -80.59 -22.89 46.68 1.26 52.06 11.79 10.35 26.08 45.04 5.30 0.18 0.57 0.69 53 N C T 88.13 5.54 10.37 17.43 107.28 44.14 -99.42 71.51 68.19 1.09 30.72 22.14 13.72 32.47 26.19 4.38 0.03 0.45 0.63 54 K C T 161.02 1.97 11.68 14.98 97.93 -135.78 -48.16 5.71 78.14 0.77 21.09 21.37 18.84 38.48 13.71 6.73 0.01 0.31 0.54 55 R C C 155.35 3.17 11.51 16.14 107.09 85.68 -93.09 78.83 80.15 1.26 18.59 30.91 20.72 29.27 9.16 8.55 0.01 0.55 0.83 56 S C C 70.45 5.79 11.52 18.82 108.93 -153.44 -89.90 79.31 84.87 2.76 12.37 42.13 24.54 18.90 4.39 7.41 0.00 1.50 1.12 57 T C C 89.46 4.60 15.21 21.12 115.81 74.83 -102.68 131.54 82.28 10.18 7.54 55.14 17.22 10.16 3.39 4.23 0.01 7.16 2.68 58 I C C 38.82 17.04 10.05 26.64 118.95 -148.86 -103.66 131.92 86.18 12.50 1.32 73.60 11.67 0.67 1.13 0.39 0.00 7.35 5.18 59 T C C 65.02 3.51 20.69 23.80 123.00 -138.93 -87.32 162.95 93.71 5.35 0.94 92.97 1.16 0.25 0.79 0.12 0.00 3.44 1.26 60 S H H 57.65 11.31 13.12 25.00 91.63 -105.96 -59.12 -38.84 2.30 0.01 97.69 0.60 0.38 1.10 97.55 0.37 0.00 0.00 0.00 61 R H H 156.40 1.92 18.56 20.31 91.74 53.76 -64.05 -39.81 0.75 0.00 99.25 0.11 0.07 0.46 99.08 0.28 0.00 0.00 0.00 62 E H H 81.02 7.91 18.58 27.24 91.80 49.38 -66.02 -40.72 0.28 0.00 99.72 0.05 0.02 0.16 99.49 0.28 0.00 0.00 0.00 63 I H H 15.94 20.28 15.38 35.60 91.95 50.12 -64.09 -43.03 0.12 0.00 99.88 0.02 0.01 0.06 99.83 0.07 0.00 0.00 0.00 64 Q H H 69.06 11.27 20.21 31.59 91.26 50.81 -62.75 -41.60 0.16 0.00 99.84 0.02 0.00 0.10 99.82 0.05 0.00 0.00 0.00 65 T H H 63.54 3.71 23.31 26.61 91.76 49.58 -64.59 -41.84 0.34 0.00 99.66 0.03 0.01 0.24 99.62 0.09 0.00 0.00 0.00 66 A H H 17.94 13.69 19.58 34.13 91.81 50.88 -64.09 -41.98 0.55 0.00 99.45 0.04 0.02 0.41 99.24 0.29 0.00 0.00 0.00 67 V H H 14.23 20.74 17.70 38.11 91.80 50.15 -64.25 -41.44 0.83 0.00 99.16 0.06 0.04 0.66 98.11 1.13 0.00 0.00 0.00 68 R H H 116.71 9.00 20.38 29.71 91.19 53.78 -64.30 -34.58 2.75 0.01 97.25 0.15 0.13 2.38 94.74 2.60 0.00 0.00 0.00 69 L H H 92.52 5.73 21.09 27.03 92.17 54.18 -70.35 -29.36 11.92 0.01 88.07 0.30 0.42 11.45 85.72 2.08 0.01 0.00 0.01 70 L H H 49.56 14.64 17.40 31.80 96.36 45.61 -87.74 -22.81 25.13 0.07 74.80 1.22 2.62 21.24 73.47 1.32 0.05 0.02 0.05 71 L C S 32.98 17.94 12.21 29.78 114.20 67.05 -106.70 114.97 98.16 0.32 1.52 20.77 75.65 1.60 1.48 0.16 0.00 0.08 0.26 72 P C C 80.56 4.82 16.40 22.30 113.49 -134.91 -68.77 145.25 89.20 0.41 10.40 63.40 11.64 13.75 8.14 2.58 0.00 0.16 0.32 73 G H H 44.42 3.04 16.90 20.37 118.38 20.32 78.10 -153.46 44.36 0.54 55.10 11.89 16.13 17.98 46.02 7.34 0.08 0.20 0.38 74 E H H 130.42 2.95 16.82 20.28 94.08 -23.72 -66.55 -34.85 15.93 0.25 83.82 4.50 3.02 8.60 72.64 10.95 0.06 0.13 0.10 75 L H H 54.77 11.09 14.49 26.62 92.12 55.15 -64.84 -38.61 8.81 0.26 90.93 3.34 1.34 4.17 79.36 11.51 0.02 0.19 0.06 76 A H H 23.91 14.18 13.48 28.37 92.08 54.41 -64.60 -38.14 6.46 0.21 93.33 2.65 0.92 2.83 81.91 11.47 0.01 0.16 0.04 77 K H H 129.37 3.22 19.76 23.39 92.54 52.46 -66.63 -35.34 11.59 0.39 88.02 3.19 1.65 6.70 76.89 11.14 0.04 0.29 0.10 78 H H H 93.59 5.97 18.37 25.06 96.28 50.41 -76.74 -27.09 19.98 0.91 79.11 6.26 3.21 11.10 69.12 9.31 0.10 0.62 0.27 79 A H H 27.62 14.88 14.08 29.14 97.04 69.12 -66.12 -38.73 27.60 3.34 69.05 15.74 5.41 8.59 61.22 5.90 0.09 2.19 0.86 80 V H H 71.33 9.64 16.68 26.64 96.22 51.35 -72.80 -34.52 32.53 5.47 62.00 18.86 5.80 9.80 54.38 5.85 0.12 3.94 1.24 81 S H H 65.91 4.30 17.01 21.86 98.40 58.15 -74.57 -30.87 42.47 3.98 53.55 21.10 8.29 14.67 46.08 6.02 0.13 2.53 1.18 82 E C T 113.90 5.70 16.02 22.58 99.06 47.12 -75.51 -20.00 61.90 0.96 37.13 11.10 11.27 38.49 32.50 5.61 0.06 0.46 0.49 83 G C T 33.75 10.01 15.07 25.41 99.92 34.33 -20.15 -30.46 71.57 0.72 27.71 17.62 13.63 40.11 22.90 5.04 0.02 0.33 0.37 84 T C C 62.17 10.03 14.94 25.54 98.32 64.32 -76.15 -25.37 56.12 2.56 41.32 38.80 9.34 7.94 36.76 4.90 0.01 1.45 0.78 85 K H H 116.50 4.98 18.30 23.97 96.13 67.30 -69.17 -32.09 41.62 5.29 53.09 29.43 6.83 6.80 46.57 5.47 0.03 3.77 1.10 86 A H H 41.35 9.63 15.42 26.15 95.05 60.66 -68.49 -35.14 30.85 6.56 62.60 22.63 4.83 5.31 54.59 6.17 0.03 5.51 0.93 87 V H H 56.50 11.86 14.37 26.62 95.73 55.09 -72.24 -33.13 24.84 7.32 67.84 18.48 3.87 4.54 59.40 6.21 0.04 6.59 0.87 88 T H H 72.46 6.12 15.33 22.51 97.07 60.55 -73.16 -29.71 26.55 6.00 67.45 19.10 4.03 5.27 59.29 6.18 0.04 5.29 0.81 89 K H H 126.90 3.67 15.18 19.73 96.72 55.56 -75.66 -24.57 31.52 4.46 64.02 19.88 5.40 8.11 56.34 5.92 0.05 3.48 0.82 90 Y H H 115.39 8.33 11.01 20.33 101.05 60.74 -84.71 -11.55 38.71 3.19 58.10 22.62 7.01 10.83 51.97 4.65 0.05 2.04 0.83 91 T C H 85.94 5.31 10.69 17.52 105.39 70.71 -89.67 16.42 50.57 2.59 46.83 28.74 8.38 13.81 43.67 3.11 0.03 1.42 0.83 92 S C C 83.60 2.58 10.05 14.14 105.71 82.41 -86.16 50.16 72.88 1.23 25.89 51.26 2.61 17.31 25.76 1.88 0.00 0.63 0.56 93 A C C 80.19 3.65 11.33 16.58 104.91 78.76 -84.54 25.94 99.90 0.04 0.06 99.72 0.10 0.12 0.04 0.00 0.00 0.02 0.01