# 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 107.19 6.89 15.16 23.06 115.76 -161.87 -94.66 134.68 99.95 0.04 0.01 99.89 0.05 0.03 0.00 0.00 0.00 0.02 0.00 1 A C C 64.89 7.44 13.71 22.36 115.78 -130.72 -86.44 139.62 95.96 1.95 2.08 92.66 1.48 2.14 1.44 0.38 0.00 0.85 1.04 2 I C C 40.03 16.95 9.09 25.26 116.77 -121.48 -91.33 134.93 96.38 1.44 2.18 78.95 15.73 1.59 1.87 0.40 0.00 0.55 0.92 3 S C C 54.70 3.00 16.78 19.97 120.25 -123.52 -78.20 161.78 97.14 0.51 2.35 93.69 2.76 0.73 2.19 0.20 0.00 0.17 0.28 4 Q H H 125.81 4.15 12.10 18.30 91.63 -109.95 -58.77 -38.15 4.24 0.01 95.75 1.29 0.95 1.83 95.34 0.58 0.00 0.01 0.01 5 E H H 135.73 1.06 16.12 15.89 92.07 52.94 -64.63 -40.33 2.44 0.00 97.56 0.50 0.32 1.41 97.14 0.62 0.00 0.00 0.00 6 R H H 95.21 7.81 15.20 24.27 92.19 48.19 -66.46 -39.62 1.33 0.00 98.66 0.42 0.15 0.67 98.09 0.66 0.00 0.00 0.00 7 K H H 47.68 16.75 13.40 29.85 91.44 52.44 -62.56 -42.27 0.51 0.00 99.49 0.13 0.05 0.24 99.42 0.16 0.00 0.00 0.00 8 N H H 78.27 4.47 19.82 24.77 91.53 50.48 -64.40 -40.00 0.47 0.00 99.53 0.08 0.03 0.25 99.55 0.09 0.00 0.00 0.00 9 E H H 95.23 2.57 21.84 23.28 91.68 50.38 -64.46 -41.78 0.41 0.00 99.59 0.06 0.02 0.24 99.59 0.09 0.00 0.00 0.00 10 I H H 14.85 16.36 16.92 34.25 91.88 49.41 -63.75 -43.42 0.49 0.00 99.51 0.06 0.03 0.30 99.48 0.13 0.00 0.00 0.00 11 I H H 27.49 17.39 16.49 33.92 91.71 50.08 -63.24 -41.65 0.50 0.00 99.49 0.06 0.03 0.34 99.27 0.31 0.00 0.00 0.00 12 K H H 133.25 2.33 21.02 23.08 91.59 50.75 -64.29 -39.81 1.55 0.00 98.45 0.09 0.07 1.31 96.70 1.83 0.00 0.00 0.00 13 E H H 106.96 3.71 20.74 24.42 92.56 48.82 -68.50 -37.21 6.31 0.00 93.69 0.17 0.23 6.02 91.21 2.37 0.00 0.00 0.00 14 Y H H 40.28 16.70 14.47 31.11 98.52 38.92 -92.14 -16.55 17.47 0.04 82.49 1.26 1.48 14.50 79.33 3.37 0.03 0.01 0.03 15 A C T 33.23 15.16 12.44 27.58 96.93 79.75 -69.99 -6.59 70.29 0.54 29.17 26.79 6.13 38.15 23.65 4.63 0.01 0.20 0.44 16 R C T 168.07 2.32 17.48 20.05 95.91 77.09 -84.79 -13.59 83.20 0.53 16.28 20.64 16.91 46.13 9.67 5.99 0.00 0.20 0.46 17 H C S 98.93 5.55 12.56 19.82 123.45 79.99 -103.12 149.09 94.69 1.15 4.15 31.49 58.78 4.16 2.31 1.46 0.00 0.26 1.54 18 E C T 154.62 1.95 13.97 17.09 104.85 -102.47 -63.68 123.24 97.87 0.14 2.00 1.16 6.84 90.12 0.35 1.37 0.00 0.07 0.09 19 G C T 57.18 2.36 15.88 18.86 96.07 26.01 80.57 0.10 99.18 0.09 0.73 2.65 5.63 90.88 0.09 0.66 0.00 0.06 0.04 20 D C C 36.43 16.13 10.48 26.48 104.45 128.10 -79.79 96.24 98.36 1.22 0.42 93.71 3.76 0.77 0.10 0.27 0.00 0.37 1.01 21 T C C 77.86 7.30 18.74 26.77 100.12 162.54 -97.52 -0.79 99.26 0.37 0.38 66.64 6.76 25.85 0.10 0.23 0.00 0.17 0.24 22 G C S 32.61 12.32 18.09 30.10 98.90 -67.75 72.82 4.77 99.10 0.49 0.41 25.36 39.94 33.82 0.09 0.32 0.00 0.21 0.25 23 S C C 37.71 8.82 20.77 30.69 117.57 134.08 -76.68 144.83 99.50 0.24 0.26 84.51 14.77 0.13 0.24 0.03 0.00 0.04 0.28 24 P H H 42.42 16.84 17.63 34.26 91.98 -126.82 -59.77 -36.67 1.44 0.00 98.56 0.15 0.17 0.89 98.61 0.17 0.00 0.00 0.00 25 E H H 91.99 10.59 22.38 32.87 91.71 55.39 -63.74 -40.27 0.53 0.00 99.47 0.04 0.03 0.37 99.43 0.13 0.00 0.00 0.00 26 V H H 28.46 14.32 21.74 36.19 92.25 48.89 -65.99 -41.89 0.10 0.00 99.90 0.01 0.01 0.05 99.85 0.07 0.00 0.00 0.00 27 Q H H 37.24 18.00 23.06 39.82 91.71 50.73 -63.76 -42.94 0.05 0.00 99.95 0.00 0.00 0.02 99.94 0.03 0.00 0.00 0.00 28 I H H 19.98 19.21 23.30 41.86 91.47 49.63 -63.76 -43.10 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 29 A H H 26.57 11.42 25.49 37.54 91.60 50.43 -63.75 -42.22 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 30 V H H 28.91 14.25 24.91 39.19 91.66 49.62 -64.36 -42.95 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 31 L H H 14.52 21.05 22.84 43.13 91.82 49.82 -64.36 -42.81 0.18 0.00 99.82 0.02 0.01 0.09 99.88 0.01 0.00 0.00 0.00 32 T H H 33.92 14.45 23.55 37.61 91.88 50.51 -64.21 -42.10 0.18 0.00 99.82 0.02 0.01 0.09 99.87 0.01 0.00 0.00 0.00 33 E H H 75.05 7.03 25.22 32.74 91.68 49.76 -64.41 -42.25 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 34 D H H 36.46 13.73 22.77 36.31 91.87 49.37 -64.59 -41.87 0.17 0.00 99.82 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 35 I H H 14.73 20.19 19.21 39.22 91.66 50.21 -63.86 -42.42 0.18 0.00 99.82 0.01 0.01 0.11 99.84 0.02 0.00 0.00 0.00 36 N H H 75.84 6.12 23.77 30.07 91.47 50.76 -63.90 -40.69 0.31 0.00 99.69 0.02 0.01 0.20 99.73 0.04 0.00 0.00 0.00 37 Q H H 79.20 5.42 23.31 28.91 91.78 49.83 -65.20 -40.93 0.56 0.00 99.44 0.04 0.02 0.39 99.49 0.06 0.00 0.00 0.00 38 L H H 15.52 18.54 17.61 36.33 92.02 50.78 -64.60 -41.44 0.34 0.00 99.66 0.03 0.01 0.23 99.66 0.07 0.00 0.00 0.00 39 N H H 50.28 11.71 19.20 31.40 91.59 52.41 -63.14 -41.32 0.38 0.00 99.62 0.03 0.02 0.25 99.59 0.11 0.00 0.00 0.00 40 E H H 105.14 1.97 22.96 22.98 91.77 50.12 -64.25 -41.40 0.69 0.00 99.31 0.05 0.03 0.52 99.16 0.24 0.00 0.00 0.00 41 H H H 54.00 8.38 17.66 27.68 92.11 49.28 -65.47 -40.14 0.99 0.00 99.01 0.06 0.06 0.79 98.56 0.52 0.00 0.00 0.00 42 A H H 16.50 15.67 11.89 28.19 91.71 52.74 -65.49 -37.20 2.16 0.00 97.83 0.15 0.15 1.77 96.89 1.05 0.00 0.00 0.00 43 R H H 159.83 2.11 16.54 18.98 92.53 51.17 -67.42 -34.79 9.15 0.00 90.84 0.30 0.44 8.41 89.78 1.06 0.01 0.00 0.00 44 T H H 98.34 1.46 15.51 16.28 96.61 42.35 -80.15 -32.27 17.48 0.01 82.50 0.57 1.84 14.86 81.93 0.77 0.02 0.00 0.01 45 H C C 87.65 7.40 10.25 19.07 109.52 35.55 -114.77 74.49 85.86 0.27 13.87 46.39 20.22 18.32 13.23 1.46 0.00 0.06 0.32 46 K C T 150.41 3.07 12.80 17.54 98.67 -152.36 -54.35 1.10 97.83 0.11 2.06 13.85 9.96 74.15 0.65 1.27 0.00 0.05 0.08 47 K C T 151.07 2.68 13.78 17.08 97.18 45.16 -82.19 18.60 98.10 0.11 1.79 9.39 15.74 73.03 0.43 1.28 0.00 0.05 0.07 48 D C C 56.69 8.59 10.28 20.60 107.18 106.34 -95.75 102.80 97.84 0.22 1.94 92.41 4.64 1.05 1.09 0.51 0.00 0.06 0.23 49 H H H 128.13 3.12 14.32 19.01 94.27 -174.25 -66.14 -34.28 12.40 0.04 87.56 4.14 2.78 5.70 85.28 2.06 0.01 0.01 0.03 50 H H H 123.38 2.23 17.53 19.36 92.27 54.19 -65.31 -40.28 5.23 0.01 94.76 0.71 0.58 3.65 92.38 2.66 0.01 0.00 0.00 51 S H H 23.05 11.74 14.08 27.32 92.09 50.03 -65.29 -40.66 2.57 0.01 97.42 0.52 0.27 1.55 94.77 2.89 0.00 0.00 0.00 52 Y H H 85.46 11.20 16.58 28.30 91.87 51.61 -63.87 -41.02 1.67 0.01 98.33 0.43 0.20 0.87 97.24 1.25 0.00 0.00 0.00 53 R H H 129.80 2.17 22.15 22.98 91.67 50.37 -63.88 -42.02 0.76 0.00 99.24 0.13 0.07 0.43 99.18 0.20 0.00 0.00 0.00 54 G H H 22.33 6.61 19.30 27.24 91.86 50.71 -63.54 -42.19 0.91 0.00 99.09 0.11 0.06 0.58 99.06 0.18 0.00 0.00 0.00 55 L H H 23.67 17.47 15.96 33.59 92.08 50.20 -64.42 -41.69 0.62 0.00 99.37 0.08 0.04 0.40 99.34 0.15 0.00 0.00 0.00 56 M H H 94.58 6.13 20.75 27.46 91.59 50.75 -64.14 -40.91 0.34 0.00 99.66 0.04 0.02 0.20 99.64 0.09 0.00 0.00 0.00 57 K H H 126.78 2.00 22.57 23.17 92.01 49.64 -64.99 -41.19 0.55 0.00 99.45 0.05 0.03 0.37 99.45 0.10 0.00 0.00 0.00 58 K H H 55.87 12.98 18.79 32.00 91.98 49.06 -65.55 -40.93 0.87 0.00 99.13 0.08 0.04 0.62 99.12 0.14 0.00 0.00 0.00 59 I H H 33.35 15.35 17.74 33.36 91.89 50.82 -63.88 -42.28 0.61 0.00 99.39 0.07 0.04 0.39 99.38 0.11 0.00 0.00 0.00 60 G H H 32.70 3.11 22.06 24.75 91.34 51.64 -62.82 -42.60 0.82 0.00 99.18 0.10 0.04 0.53 99.22 0.11 0.00 0.00 0.00 61 H H H 89.57 5.52 21.91 27.70 91.72 49.35 -64.97 -41.06 0.61 0.00 99.39 0.06 0.03 0.40 99.42 0.09 0.00 0.00 0.00 62 R H H 41.05 18.27 17.35 35.04 91.86 50.96 -63.90 -41.50 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 63 R H H 116.74 7.97 21.24 29.72 91.33 51.56 -62.76 -41.19 0.12 0.00 99.88 0.01 0.01 0.08 99.87 0.04 0.00 0.00 0.00 64 N H H 91.25 2.25 24.16 24.90 91.66 49.97 -64.51 -41.35 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 65 L H H 26.79 14.62 19.96 35.07 91.64 50.03 -64.34 -42.75 0.16 0.00 99.84 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 66 L H H 18.62 18.65 17.91 36.59 91.53 50.63 -63.24 -41.48 0.20 0.00 99.80 0.01 0.01 0.13 99.77 0.08 0.00 0.00 0.00 67 A H H 50.23 3.55 22.81 26.02 91.16 51.73 -62.99 -42.09 0.55 0.00 99.45 0.04 0.02 0.41 99.29 0.25 0.00 0.00 0.00 68 Y H H 88.06 5.28 21.08 27.07 91.73 50.01 -63.99 -41.75 1.18 0.00 98.82 0.07 0.06 0.94 98.34 0.58 0.00 0.00 0.00 69 L H H 11.73 18.57 13.99 33.20 91.95 50.17 -65.29 -40.55 2.05 0.00 97.95 0.21 0.16 1.47 96.92 1.23 0.00 0.00 0.00 70 R H H 106.16 10.51 15.67 26.72 91.50 55.64 -64.73 -34.67 8.66 0.01 91.33 0.64 0.50 7.22 90.01 1.61 0.01 0.00 0.01 71 K H H 153.66 1.22 18.08 18.10 93.04 49.86 -73.45 -26.78 20.17 0.02 79.80 0.87 1.32 17.43 79.15 1.19 0.01 0.01 0.01 72 T H H 77.17 5.11 15.09 21.25 102.50 34.85 -98.41 -25.79 41.91 0.13 57.96 2.88 12.40 24.49 59.21 0.86 0.03 0.03 0.11 73 D C C 66.44 6.90 15.04 23.27 114.89 7.46 -136.39 93.79 97.80 0.25 1.95 94.29 1.88 1.59 1.82 0.17 0.00 0.07 0.18 74 I H H 74.42 11.58 12.13 24.66 93.98 -168.83 -63.15 -36.00 1.81 0.00 98.19 0.41 0.20 0.91 98.20 0.28 0.00 0.00 0.00 75 Q H H 124.31 1.41 19.43 19.52 91.55 54.08 -63.79 -41.25 0.69 0.00 99.31 0.05 0.04 0.50 99.14 0.26 0.00 0.00 0.00 76 R H H 94.85 6.42 18.44 25.86 91.82 48.87 -65.17 -40.85 0.23 0.00 99.77 0.03 0.01 0.15 99.58 0.23 0.00 0.00 0.00 77 Y H H 14.73 21.02 13.64 34.72 91.56 50.97 -62.94 -43.18 0.08 0.00 99.92 0.01 0.00 0.05 99.88 0.06 0.00 0.00 0.00 78 R H H 108.29 7.15 20.44 28.28 91.24 51.20 -62.82 -41.49 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 79 E H H 95.94 2.30 22.52 23.37 91.47 50.02 -63.65 -42.43 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 80 L H H 15.92 15.60 17.44 34.18 91.84 49.58 -63.91 -43.18 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 81 I H H 16.86 18.20 14.97 33.59 91.76 49.51 -63.58 -42.83 0.28 0.00 99.72 0.03 0.01 0.18 99.69 0.10 0.00 0.00 0.00 82 Q H H 122.18 2.04 18.96 20.81 91.67 49.44 -64.13 -40.74 0.84 0.00 99.16 0.06 0.03 0.62 98.95 0.34 0.00 0.00 0.00 83 R H H 145.09 3.10 17.57 21.24 91.46 51.14 -66.02 -34.75 4.57 0.00 95.43 0.12 0.15 4.30 94.98 0.45 0.00 0.00 0.00 84 L H H 35.61 16.02 12.29 28.59 93.71 48.07 -86.76 -6.56 48.44 0.03 51.53 0.57 1.52 45.64 51.23 1.00 0.01 0.01 0.03 85 G C T 51.10 2.43 20.00 22.09 96.30 -114.39 76.15 20.24 98.35 0.04 1.61 5.42 3.09 90.05 1.15 0.26 0.00 0.02 0.02 86 L C C 39.82 17.33 8.83 25.12 111.53 140.86 -90.33 116.07 96.20 0.70 3.09 81.15 8.32 6.93 1.52 1.31 0.00 0.33 0.46 87 R C C 152.46 3.51 14.58 19.61 117.51 -159.23 -100.44 139.18 95.95 1.70 2.35 90.02 1.84 4.59 1.08 0.77 0.00 0.79 0.92 88 R C C 153.51 5.70 13.75 21.27 110.06 -116.00 -76.69 130.77 99.97 0.03 0.00 99.92 0.05 0.01 0.00 0.00 0.00 0.01 0.00