# 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 93.97 9.74 12.36 22.95 117.29 -150.63 -92.24 134.78 99.99 0.01 0.00 99.93 0.05 0.01 0.00 0.00 0.00 0.00 0.00 1 P C C 82.05 5.80 12.25 19.68 112.91 -111.30 -67.56 148.00 98.61 0.43 0.95 97.49 0.26 1.36 0.31 0.24 0.00 0.20 0.14 2 R C C 164.85 3.29 11.94 17.15 113.75 -126.34 -89.33 132.07 91.21 6.31 2.48 80.54 7.18 3.39 1.05 1.28 0.00 3.23 3.32 3 V C C 70.78 10.95 9.10 20.55 115.52 -143.66 -95.68 130.11 89.37 7.56 3.07 79.85 7.01 2.56 1.53 1.39 0.00 4.72 2.94 4 K C C 147.32 2.62 14.31 18.13 112.53 -156.64 -92.70 127.81 88.06 6.12 5.82 61.95 14.18 12.09 3.62 2.17 0.00 4.20 1.79 5 G C C 43.82 6.61 12.56 20.27 110.63 25.00 93.01 -2.49 88.94 2.00 9.07 45.33 25.11 18.74 6.30 2.67 0.00 0.99 0.86 6 G C C 35.09 6.78 12.58 20.61 119.68 87.56 83.08 -170.30 68.98 1.03 29.99 39.87 20.10 8.31 28.11 2.71 0.01 0.38 0.51 7 T H H 98.56 2.48 14.84 17.74 95.13 -56.35 -68.31 -32.03 25.01 0.64 74.36 11.87 7.10 8.00 69.77 2.69 0.03 0.28 0.25 8 V H H 77.98 4.89 15.72 21.49 94.08 51.62 -68.26 -38.89 16.68 0.66 82.67 8.89 3.62 5.60 78.93 2.38 0.03 0.36 0.19 9 T H H 35.55 11.94 13.53 26.44 94.17 51.53 -66.90 -41.00 11.66 0.40 87.94 7.64 1.97 3.09 85.14 1.82 0.01 0.23 0.11 10 R H H 116.44 6.35 17.00 24.38 92.60 52.07 -64.55 -41.40 4.94 0.09 94.98 2.60 0.80 1.69 93.97 0.87 0.00 0.04 0.02 11 A H H 57.70 2.70 19.21 21.47 92.18 50.65 -64.66 -41.35 2.85 0.03 97.12 1.22 0.38 1.17 96.64 0.56 0.00 0.02 0.01 12 R H H 94.24 8.51 18.01 27.24 92.25 49.69 -65.83 -40.60 2.15 0.02 97.83 0.81 0.26 0.98 97.47 0.47 0.00 0.01 0.01 13 R H H 68.26 15.25 15.91 30.82 91.89 51.41 -63.28 -41.44 1.64 0.01 98.35 0.53 0.19 0.78 98.17 0.32 0.00 0.00 0.00 14 K H H 113.63 3.88 20.84 24.99 91.86 50.52 -64.35 -40.57 1.60 0.01 98.40 0.46 0.17 0.79 98.30 0.27 0.00 0.00 0.00 15 K H H 107.77 3.22 21.52 24.21 91.86 49.84 -64.94 -41.04 2.09 0.01 97.90 0.55 0.22 1.14 97.79 0.29 0.00 0.00 0.00 16 T H H 20.31 15.44 16.68 32.72 92.16 49.72 -64.73 -42.63 1.79 0.01 98.20 0.45 0.21 1.03 97.82 0.47 0.00 0.01 0.00 17 I H H 46.28 13.40 17.10 30.96 91.94 50.22 -64.02 -40.56 1.61 0.01 98.38 0.34 0.18 1.00 97.24 1.23 0.00 0.01 0.00 18 K H H 130.53 2.02 22.06 23.06 92.00 51.56 -64.67 -39.32 4.21 0.02 95.77 0.44 0.30 3.28 93.50 2.44 0.01 0.01 0.01 19 L H H 78.09 6.80 18.40 25.96 92.27 50.52 -68.74 -32.99 10.41 0.02 89.57 0.54 0.70 8.95 86.96 2.80 0.02 0.01 0.01 20 A H H 14.83 19.01 11.44 30.11 94.68 54.01 -80.04 -13.51 34.22 0.16 65.62 5.04 4.29 24.95 58.82 6.66 0.05 0.06 0.13 21 K C T 136.32 4.84 16.19 23.11 100.35 108.09 -63.69 51.26 60.79 0.21 39.00 3.53 3.65 52.68 17.01 22.82 0.01 0.10 0.21 22 G C T 59.13 1.63 17.15 18.54 97.25 31.44 29.98 -1.99 68.06 0.23 31.71 4.95 5.46 56.87 8.60 23.81 0.00 0.12 0.19 23 Y C C 96.57 12.01 11.43 23.73 107.67 91.25 -92.71 64.01 76.14 1.82 22.04 50.20 11.37 13.70 4.85 17.98 0.00 0.93 0.96 24 F C C 123.25 6.64 13.12 21.27 118.33 115.76 -102.16 137.75 89.28 5.32 5.40 65.99 11.59 11.46 2.40 2.79 0.00 2.48 3.29 25 G C C 42.38 5.12 13.77 20.41 127.00 94.87 119.37 -170.89 92.98 3.63 3.39 49.43 28.78 15.07 1.01 2.31 0.00 1.96 1.45 26 S C C 67.37 3.82 13.78 18.68 117.52 -72.23 -92.26 148.59 93.59 3.06 3.35 70.08 17.76 5.64 1.46 1.84 0.00 1.42 1.80 27 K C H 138.28 4.76 11.42 18.01 96.06 -122.74 -67.92 -26.42 59.57 1.02 39.41 17.98 20.11 22.58 22.94 15.21 0.05 0.42 0.72 28 H C T 146.49 1.70 13.71 15.71 96.02 59.27 -75.76 -23.79 55.47 0.45 44.07 8.05 12.89 34.15 27.62 16.66 0.06 0.20 0.37 29 T C H 70.86 4.78 13.85 19.88 101.68 46.25 -89.27 -9.01 51.41 1.14 47.45 18.68 8.65 24.55 31.43 15.42 0.05 0.54 0.67 30 L H H 53.74 10.87 12.72 24.72 95.14 81.21 -66.65 -37.28 22.95 0.66 76.39 16.24 4.44 3.72 73.04 2.04 0.01 0.26 0.26 31 Y H H 104.38 8.92 15.89 25.52 92.89 54.27 -65.02 -41.61 4.10 0.06 95.84 1.85 0.64 1.52 95.26 0.69 0.00 0.03 0.01 32 K H H 123.12 2.20 20.27 21.67 92.43 49.50 -65.60 -41.07 2.00 0.03 97.97 0.77 0.24 0.89 97.53 0.55 0.00 0.01 0.00 33 V H H 55.67 6.02 19.03 26.17 92.40 49.02 -65.41 -41.75 1.13 0.01 98.85 0.38 0.12 0.52 98.65 0.31 0.00 0.00 0.00 34 A H H 13.26 15.29 14.94 31.47 91.62 51.19 -63.51 -42.36 0.75 0.00 99.25 0.22 0.06 0.35 99.22 0.14 0.00 0.00 0.00 35 K H H 95.94 7.10 20.25 27.78 91.71 50.72 -63.94 -41.10 0.49 0.00 99.51 0.11 0.03 0.25 99.53 0.07 0.00 0.00 0.00 36 Q H H 97.25 2.67 22.04 23.77 91.98 49.70 -64.62 -41.42 0.21 0.00 99.79 0.03 0.01 0.11 99.80 0.04 0.00 0.00 0.00 37 Q H H 67.15 8.74 19.23 28.77 92.18 49.54 -65.52 -40.83 0.21 0.00 99.79 0.03 0.01 0.12 99.80 0.05 0.00 0.00 0.00 38 V H H 39.60 13.18 17.02 30.75 92.29 49.68 -64.48 -41.93 0.33 0.00 99.67 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 39 M H H 95.06 4.43 20.66 25.05 91.94 49.38 -64.38 -41.51 0.75 0.00 99.25 0.09 0.04 0.47 99.29 0.10 0.00 0.00 0.00 40 K H H 113.36 2.81 20.97 23.31 92.17 48.96 -65.23 -41.41 1.37 0.00 98.63 0.17 0.09 0.87 98.72 0.15 0.00 0.00 0.00 41 S H H 33.82 9.33 17.16 27.71 92.17 50.56 -64.79 -40.66 1.37 0.00 98.63 0.19 0.10 0.84 98.67 0.20 0.00 0.00 0.00 42 G H H 27.58 8.32 17.91 26.92 92.61 50.84 -64.33 -40.94 1.51 0.00 98.49 0.21 0.10 0.95 98.48 0.26 0.00 0.00 0.00 43 Q H H 97.48 3.04 20.10 22.77 92.30 50.46 -65.25 -41.27 1.03 0.00 98.97 0.17 0.07 0.60 98.92 0.23 0.00 0.00 0.00 44 Y H H 109.05 4.13 19.52 23.91 92.21 49.52 -65.18 -41.30 0.90 0.00 99.10 0.15 0.07 0.52 99.00 0.25 0.00 0.00 0.00 45 A H H 32.88 9.00 16.01 26.24 92.20 51.25 -64.26 -41.40 1.31 0.00 98.69 0.22 0.09 0.80 98.59 0.30 0.00 0.00 0.00 46 F H H 101.25 4.89 18.37 23.58 92.18 49.77 -65.03 -41.18 1.94 0.00 98.05 0.33 0.16 1.24 97.84 0.43 0.00 0.00 0.00 47 R H H 127.77 2.30 19.31 20.93 92.19 49.80 -64.96 -41.36 3.16 0.00 96.84 0.49 0.26 2.10 96.74 0.40 0.00 0.00 0.00 48 D H H 59.78 5.39 16.86 23.28 92.59 49.57 -66.29 -39.87 6.50 0.01 93.49 1.23 0.52 4.09 93.73 0.42 0.00 0.00 0.01 49 R H H 99.86 7.72 16.26 24.57 92.16 51.40 -64.36 -40.85 1.92 0.00 98.07 0.45 0.21 1.00 98.07 0.27 0.00 0.00 0.00 50 R H H 129.30 2.87 18.07 21.05 92.16 50.25 -65.13 -40.99 1.35 0.00 98.65 0.28 0.12 0.75 98.61 0.24 0.00 0.00 0.00 51 Q H H 94.52 2.66 18.24 20.66 92.11 49.58 -65.18 -40.86 1.22 0.00 98.77 0.26 0.10 0.67 98.74 0.23 0.00 0.00 0.00 52 R H H 107.89 6.21 16.96 23.74 92.12 50.16 -64.75 -41.15 0.89 0.00 99.11 0.18 0.07 0.46 99.15 0.14 0.00 0.00 0.00 53 K H H 92.99 7.13 16.99 24.89 91.92 50.45 -64.32 -40.90 0.70 0.00 99.30 0.12 0.05 0.38 99.33 0.12 0.00 0.00 0.00 54 R H H 123.11 2.98 18.85 21.79 92.09 50.38 -64.74 -41.36 0.52 0.00 99.48 0.08 0.03 0.30 99.50 0.10 0.00 0.00 0.00 55 D H H 72.78 3.62 19.29 22.85 91.94 49.44 -65.16 -41.14 0.59 0.00 99.41 0.08 0.03 0.34 99.45 0.09 0.00 0.00 0.00 56 F H H 69.53 9.72 17.37 27.94 92.21 49.98 -64.48 -41.53 0.40 0.00 99.60 0.05 0.02 0.24 99.62 0.07 0.00 0.00 0.00 57 R H H 94.35 10.92 18.04 29.19 91.88 51.54 -63.71 -41.37 0.27 0.00 99.73 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 58 K H H 116.65 3.27 21.09 24.20 91.95 50.12 -64.75 -41.10 0.25 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 59 L H H 72.46 5.56 21.13 26.97 92.04 49.44 -64.79 -41.63 0.18 0.00 99.82 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 60 W H H 39.86 16.76 18.35 35.09 91.94 49.97 -64.35 -42.27 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 61 I H H 48.04 13.31 20.04 33.49 91.74 50.11 -63.69 -42.08 0.18 0.00 99.82 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 62 T H H 72.78 3.26 24.50 26.88 91.94 50.02 -64.79 -41.82 0.14 0.00 99.86 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 63 R H H 86.69 10.27 23.17 33.33 92.09 49.06 -65.34 -41.61 0.23 0.00 99.77 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 64 I H H 7.87 23.32 18.65 41.82 91.68 49.12 -64.53 -43.07 0.20 0.00 99.80 0.01 0.01 0.14 99.81 0.03 0.00 0.00 0.00 65 N H H 63.47 9.79 23.40 33.30 91.44 50.87 -63.04 -41.81 0.23 0.00 99.77 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 66 A H H 45.80 3.43 24.64 27.68 91.30 50.41 -63.49 -42.05 0.18 0.00 99.82 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 67 A H H 11.82 13.51 19.20 34.24 91.79 50.32 -64.26 -42.29 0.19 0.00 99.81 0.01 0.01 0.12 99.79 0.06 0.00 0.00 0.00 68 A H H 8.17 17.55 14.52 33.07 91.52 51.24 -63.41 -41.93 0.43 0.00 99.57 0.04 0.02 0.28 99.48 0.18 0.00 0.00 0.00 69 R H H 158.39 2.20 19.52 21.83 91.94 50.08 -64.01 -40.54 1.17 0.00 98.83 0.07 0.04 0.94 98.47 0.48 0.00 0.00 0.00 70 Q H H 118.18 3.03 17.34 21.02 91.55 51.37 -66.69 -32.08 6.75 0.00 93.25 0.15 0.21 6.49 92.65 0.48 0.00 0.00 0.00 71 H C T 76.01 10.24 12.93 24.39 97.00 40.35 -99.66 7.70 80.82 0.01 19.17 0.41 1.41 78.09 19.49 0.58 0.00 0.00 0.01 72 E C T 165.44 0.82 18.29 17.55 93.55 -119.99 59.60 36.02 99.79 0.00 0.21 1.01 1.13 97.73 0.11 0.02 0.00 0.00 0.00 73 M C C 38.81 15.77 10.00 25.88 124.51 137.01 -112.77 145.41 99.66 0.26 0.08 95.49 4.04 0.12 0.05 0.02 0.00 0.06 0.23 74 S C C 60.23 2.70 22.84 24.10 118.21 -119.39 -79.89 153.76 99.70 0.19 0.10 99.49 0.24 0.05 0.06 0.01 0.00 0.04 0.11 75 Y H H 69.02 18.61 12.75 30.53 92.15 -119.91 -59.31 -38.57 1.66 0.00 98.34 0.33 0.22 0.84 98.26 0.34 0.00 0.00 0.00 76 S H H 71.66 2.95 20.73 23.82 91.48 56.03 -63.16 -39.84 0.59 0.00 99.41 0.06 0.03 0.38 99.07 0.45 0.00 0.00 0.00 77 R H H 117.15 5.19 21.76 27.26 91.96 49.38 -65.77 -40.42 0.18 0.00 99.82 0.02 0.01 0.11 99.45 0.41 0.00 0.00 0.00 78 L H H 6.15 23.66 15.72 39.44 91.72 49.55 -64.06 -43.52 0.19 0.00 99.81 0.02 0.01 0.11 99.71 0.15 0.00 0.00 0.00 79 M H H 48.56 14.51 20.68 34.90 91.75 49.89 -63.84 -42.19 0.25 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 80 N H H 80.05 2.73 24.74 26.26 91.70 50.43 -63.66 -41.83 0.28 0.00 99.72 0.02 0.01 0.19 99.73 0.05 0.00 0.00 0.00 81 G H H 9.24 13.20 19.13 33.73 91.95 51.08 -63.33 -42.53 0.34 0.00 99.66 0.02 0.02 0.24 99.64 0.08 0.00 0.00 0.00 82 L H H 9.14 21.74 14.93 36.75 91.86 50.18 -64.03 -42.15 0.33 0.00 99.67 0.03 0.02 0.23 99.53 0.19 0.00 0.00 0.00 83 K H H 129.45 4.16 19.51 24.92 91.36 50.59 -62.97 -40.61 0.59 0.00 99.41 0.04 0.02 0.45 99.07 0.42 0.00 0.00 0.00 84 K H H 137.63 2.74 18.65 21.89 90.72 53.59 -65.20 -30.62 5.36 0.00 94.64 0.08 0.13 5.36 93.87 0.55 0.00 0.00 0.00 85 A C T 31.74 14.18 13.68 28.48 93.23 51.16 -87.20 -0.93 73.52 0.01 26.47 0.19 0.65 73.11 25.42 0.62 0.00 0.00 0.01 86 G C T 56.49 1.83 21.47 22.48 94.53 -112.90 76.53 21.40 99.86 0.00 0.14 0.74 0.61 98.58 0.05 0.02 0.00 0.00 0.00 87 I C C 24.40 20.32 10.38 30.10 114.35 142.06 -99.41 123.25 98.00 1.82 0.18 96.14 1.88 0.25 0.07 0.06 0.00 1.07 0.51 88 D C C 107.46 2.41 23.16 25.22 109.62 -148.58 -94.34 108.62 96.91 2.90 0.19 94.02 2.80 0.47 0.07 0.07 0.00 1.87 0.69 89 I C C 22.17 22.49 10.44 31.90 124.55 167.00 -116.80 139.17 96.39 3.44 0.17 90.55 6.24 0.18 0.11 0.05 0.00 1.50 1.37 90 N C C 81.42 3.91 23.00 26.14 119.66 -127.47 -83.92 158.06 99.29 0.49 0.21 98.59 0.77 0.11 0.15 0.02 0.00 0.19 0.18 91 R H H 108.16 14.44 14.42 28.48 91.80 -111.70 -59.66 -37.44 1.84 0.00 98.16 0.26 0.26 1.07 98.02 0.39 0.00 0.00 0.00 92 K H H 128.35 3.61 20.34 24.62 91.83 53.70 -64.06 -40.60 1.04 0.00 98.96 0.09 0.08 0.75 98.55 0.53 0.00 0.00 0.00 93 M H H 58.50 9.98 20.43 31.04 92.15 48.92 -65.75 -41.25 0.62 0.00 99.38 0.07 0.04 0.42 98.84 0.63 0.00 0.00 0.00 94 L H H 7.90 22.87 17.43 40.16 91.48 50.68 -63.43 -42.71 0.24 0.00 99.76 0.03 0.02 0.13 99.73 0.09 0.00 0.00 0.00 95 S H H 20.56 14.95 20.46 35.68 91.69 51.64 -63.49 -41.50 0.34 0.00 99.66 0.04 0.02 0.19 99.68 0.07 0.00 0.00 0.00 96 E H H 92.83 4.71 25.45 30.20 91.74 50.31 -64.59 -41.19 0.51 0.00 99.49 0.04 0.03 0.35 99.48 0.10 0.00 0.00 0.00 97 I H H 19.31 15.66 20.69 36.92 91.80 50.25 -64.53 -42.29 0.50 0.00 99.49 0.04 0.03 0.34 99.40 0.19 0.00 0.00 0.00 98 A H H 8.45 21.08 17.09 38.10 91.80 51.53 -65.09 -37.17 1.45 0.00 98.55 0.13 0.08 1.09 98.22 0.47 0.00 0.00 0.00 99 I H H 80.60 10.01 20.54 30.50 94.31 47.62 -75.17 -31.02 7.05 0.00 92.94 0.13 0.23 6.83 92.33 0.47 0.00 0.00 0.00 100 S H H 68.66 4.46 20.02 24.90 101.08 33.06 -99.05 -20.66 17.30 0.03 82.66 0.48 1.74 14.62 82.73 0.39 0.02 0.01 0.02 101 D C C 56.28 10.11 16.25 27.16 117.87 20.35 -137.23 99.54 99.11 0.13 0.76 96.02 2.77 0.33 0.71 0.05 0.00 0.03 0.10 102 E H H 92.83 12.59 15.13 28.00 93.85 -173.87 -63.67 -35.16 1.94 0.00 98.06 0.19 0.16 1.37 97.58 0.70 0.00 0.00 0.00 103 K H H 134.82 2.32 22.93 24.96 91.67 55.07 -63.96 -39.62 0.82 0.00 99.18 0.05 0.04 0.65 98.61 0.65 0.00 0.00 0.00 104 A H H 14.63 12.70 18.98 33.21 91.35 51.01 -64.08 -41.95 0.24 0.00 99.76 0.02 0.01 0.15 99.32 0.49 0.00 0.00 0.00 105 F H H 8.98 23.70 17.28 40.80 91.73 50.40 -63.57 -42.40 0.15 0.00 99.85 0.02 0.00 0.09 99.76 0.12 0.00 0.00 0.00 106 A H H 36.41 8.86 23.15 32.65 91.50 51.28 -63.15 -41.62 0.16 0.00 99.84 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 107 Q H H 94.03 3.51 26.24 29.18 91.63 50.69 -64.55 -41.66 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 108 L H H 10.01 20.12 20.64 40.78 91.53 49.77 -64.28 -43.24 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 109 V H H 15.57 20.06 19.95 39.74 91.53 50.03 -63.28 -42.88 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 110 T H H 74.30 3.45 25.30 28.08 91.58 50.36 -63.83 -42.38 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 111 K H H 90.82 5.72 23.69 29.50 91.84 48.90 -64.99 -41.35 0.26 0.00 99.74 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 112 A H H 5.09 20.95 15.16 36.68 91.54 50.32 -64.29 -42.07 0.42 0.00 99.58 0.05 0.02 0.26 99.58 0.10 0.00 0.00 0.00 113 K H H 85.48 11.17 18.45 29.74 91.54 52.24 -62.90 -41.22 1.02 0.00 98.98 0.11 0.06 0.70 98.80 0.33 0.00 0.00 0.00 114 D H H 102.51 1.38 20.56 20.15 92.17 50.04 -65.77 -37.30 3.58 0.00 96.42 0.22 0.17 2.91 95.80 0.89 0.00 0.00 0.00 115 A H H 48.28 8.76 15.02 24.90 92.33 52.78 -69.16 -30.85 13.25 0.01 86.75 0.69 0.62 11.34 86.28 1.06 0.00 0.00 0.01 116 L H H 49.28 15.59 10.40 25.34 97.26 53.88 -82.30 -10.95 41.59 0.15 58.27 13.87 1.56 24.59 58.47 1.34 0.00 0.04 0.12 117 K C C 151.77 2.70 17.09 20.80 101.73 116.99 -58.50 50.77 99.94 0.01 0.05 99.75 0.07 0.14 0.03 0.00 0.00 0.00 0.00