# 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 56.34 6.33 13.73 21.22 105.14 -116.14 -73.78 114.17 99.82 0.03 0.15 99.71 0.08 0.08 0.10 0.01 0.00 0.01 0.01 1 K H H 130.63 3.53 11.50 16.32 96.12 68.01 -66.79 -33.82 44.07 0.33 55.59 38.14 1.05 4.76 54.36 1.40 0.00 0.12 0.17 2 Q H H 127.75 1.44 11.89 13.66 94.01 54.78 -67.82 -37.23 21.38 0.23 78.39 12.32 3.22 6.23 76.21 1.82 0.00 0.10 0.10 3 S H H 64.14 2.35 12.75 15.83 93.65 51.30 -67.89 -38.66 15.65 0.20 84.15 9.84 2.04 4.25 81.75 1.96 0.00 0.09 0.08 4 M H H 81.48 5.94 12.43 19.83 92.92 51.88 -65.75 -40.85 5.62 0.07 94.31 3.28 0.83 1.73 93.04 1.07 0.00 0.03 0.02 5 K H H 113.37 3.22 15.18 19.25 92.17 51.26 -64.80 -40.85 2.92 0.03 97.05 1.42 0.40 1.10 96.55 0.51 0.00 0.01 0.01 6 A H H 56.29 2.29 16.59 18.82 91.76 50.25 -64.16 -41.39 1.99 0.01 97.99 0.78 0.23 0.86 97.80 0.32 0.00 0.00 0.00 7 R H H 110.59 5.09 17.09 23.07 92.13 50.01 -65.09 -40.55 1.32 0.00 98.67 0.46 0.13 0.58 98.64 0.18 0.00 0.00 0.00 8 E H H 71.37 9.73 16.42 27.09 91.92 50.79 -63.91 -41.14 1.00 0.00 99.00 0.35 0.09 0.44 99.00 0.12 0.00 0.00 0.00 9 V H H 78.77 3.42 19.70 23.06 91.72 49.98 -64.26 -41.89 0.53 0.00 99.47 0.14 0.04 0.25 99.51 0.06 0.00 0.00 0.00 10 K H H 114.70 2.95 21.11 23.75 91.60 49.85 -64.32 -41.36 0.35 0.00 99.65 0.08 0.02 0.17 99.68 0.05 0.00 0.00 0.00 11 R H H 70.60 13.05 18.36 31.52 91.88 49.66 -64.42 -41.87 0.27 0.00 99.73 0.05 0.02 0.15 99.74 0.04 0.00 0.00 0.00 12 V H H 50.93 10.05 19.22 30.06 91.63 50.35 -63.57 -41.99 0.26 0.00 99.74 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 13 A H H 57.01 2.49 23.34 24.47 91.24 50.11 -63.55 -42.12 0.28 0.00 99.72 0.04 0.02 0.17 99.74 0.04 0.00 0.00 0.00 14 L H H 51.63 7.93 20.85 29.81 91.83 49.62 -64.25 -41.88 0.35 0.00 99.65 0.04 0.02 0.22 99.66 0.05 0.00 0.00 0.00 15 A H H 14.59 17.01 16.34 34.07 91.68 50.70 -63.49 -41.79 0.25 0.00 99.75 0.02 0.01 0.17 99.74 0.06 0.00 0.00 0.00 16 D H H 81.73 4.07 21.88 26.00 91.42 50.99 -64.11 -40.92 0.31 0.00 99.69 0.02 0.01 0.22 99.66 0.09 0.00 0.00 0.00 17 K H H 121.14 2.21 22.70 23.76 91.83 49.49 -65.05 -41.35 0.75 0.00 99.25 0.04 0.03 0.62 99.17 0.14 0.00 0.00 0.00 18 Y H H 42.02 14.72 17.18 32.46 92.02 49.43 -65.48 -41.34 1.02 0.00 98.98 0.06 0.04 0.80 98.98 0.12 0.00 0.00 0.00 19 F H H 75.68 11.40 18.39 30.16 91.81 52.13 -63.26 -41.81 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 20 A H H 60.93 2.16 22.56 23.14 91.35 50.04 -63.77 -41.55 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 21 K H H 87.20 8.24 20.60 29.26 91.97 48.96 -65.22 -40.74 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 22 R H H 55.00 16.72 17.18 33.46 91.58 51.30 -63.55 -41.52 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 23 A H H 54.93 3.68 22.53 25.93 91.21 50.74 -63.64 -40.71 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 24 E H H 99.60 3.74 22.74 26.22 91.65 50.51 -64.53 -40.80 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 25 L H H 17.53 18.88 16.74 35.85 91.64 50.61 -63.95 -41.82 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 26 K H H 92.79 10.05 20.72 30.83 91.50 51.97 -62.59 -40.56 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 27 A H H 56.42 2.44 22.52 23.73 91.51 51.33 -63.80 -41.63 0.37 0.00 99.63 0.02 0.01 0.27 99.57 0.12 0.00 0.00 0.00 28 I H H 38.47 11.98 17.95 30.99 92.09 49.89 -64.99 -41.30 1.02 0.00 98.97 0.08 0.05 0.76 98.74 0.36 0.00 0.00 0.00 29 I H H 32.51 17.51 14.87 32.25 92.08 50.12 -66.56 -35.60 4.13 0.01 95.86 0.31 0.26 3.33 95.20 0.88 0.01 0.00 0.00 30 S H H 77.53 2.82 19.04 22.04 92.59 55.21 -73.35 -22.59 22.56 0.04 77.40 1.11 1.82 19.31 76.53 1.16 0.03 0.01 0.03 31 D C C 82.70 4.13 16.48 21.42 104.74 49.93 -100.31 61.49 77.06 0.31 22.63 36.75 11.90 27.70 20.76 2.52 0.00 0.11 0.26 32 V C T 55.08 15.80 9.79 24.62 96.60 150.68 -70.48 -21.84 63.74 0.67 35.59 24.20 8.20 31.93 12.59 22.26 0.01 0.29 0.54 33 N C T 128.92 1.49 15.69 17.24 94.59 66.98 -75.69 -9.62 67.22 0.40 32.38 15.63 10.71 40.98 10.13 22.02 0.00 0.19 0.35 34 A C C 75.12 3.50 13.78 18.31 98.22 63.27 -85.93 -6.69 69.42 0.62 29.96 27.21 15.87 27.01 8.11 21.02 0.00 0.25 0.54 35 A C C 39.45 12.73 8.85 21.63 121.45 85.65 -98.06 152.14 94.13 0.52 5.35 46.77 41.95 5.68 2.87 2.02 0.00 0.14 0.56 36 S C C 60.36 2.55 16.48 18.80 118.60 -101.85 -74.51 161.94 97.83 0.30 1.87 90.79 5.89 1.25 1.40 0.33 0.00 0.09 0.26 37 D H H 104.50 4.21 12.45 18.58 92.40 -102.73 -59.58 -37.94 4.35 0.01 95.64 1.34 1.12 1.76 95.24 0.53 0.00 0.00 0.01 38 E H H 133.61 1.31 16.30 16.76 92.07 52.20 -64.49 -40.73 1.88 0.00 98.11 0.31 0.22 1.14 97.80 0.53 0.00 0.00 0.00 39 D H H 60.27 7.09 15.74 24.21 92.12 48.86 -66.19 -40.07 1.28 0.01 98.71 0.33 0.13 0.68 98.26 0.60 0.00 0.00 0.00 40 R H H 54.35 15.72 14.06 29.75 91.69 51.87 -63.18 -42.03 0.55 0.00 99.44 0.14 0.05 0.25 99.36 0.19 0.00 0.00 0.00 41 W H H 121.18 5.11 20.46 25.95 91.76 50.22 -63.77 -41.46 0.31 0.00 99.69 0.05 0.02 0.16 99.71 0.06 0.00 0.00 0.00 42 N H H 84.16 2.91 23.10 25.14 91.63 50.00 -64.30 -40.98 0.30 0.00 99.70 0.03 0.01 0.19 99.73 0.05 0.00 0.00 0.00 43 A H H 9.11 16.39 17.16 34.68 91.58 50.77 -63.60 -42.57 0.24 0.00 99.76 0.02 0.01 0.15 99.77 0.05 0.00 0.00 0.00 44 V H H 32.93 15.57 18.97 34.48 91.60 51.08 -63.01 -42.11 0.18 0.00 99.82 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 45 L H H 84.75 3.22 22.84 25.30 91.51 50.34 -63.66 -41.79 0.20 0.00 99.80 0.01 0.01 0.14 99.72 0.12 0.00 0.00 0.00 46 K H H 95.11 6.45 21.44 28.31 91.76 49.58 -64.83 -40.63 0.46 0.00 99.54 0.03 0.02 0.37 99.12 0.47 0.00 0.00 0.00 47 L H H 10.35 22.92 14.01 36.75 91.32 51.21 -64.99 -38.24 1.25 0.00 98.75 0.05 0.04 1.10 96.67 2.13 0.00 0.00 0.00 48 Q H H 98.40 9.16 18.70 28.41 91.01 56.93 -66.84 -25.64 14.32 0.00 85.68 0.26 0.38 14.06 83.21 2.08 0.01 0.00 0.00 49 T C T 101.22 1.82 20.41 21.41 94.25 52.66 -90.10 -6.48 54.38 0.04 45.59 1.41 2.24 49.55 44.40 2.35 0.01 0.01 0.03 50 L C S 27.25 19.77 9.03 27.99 117.09 109.21 -72.59 142.29 99.66 0.11 0.24 24.74 74.60 0.34 0.19 0.03 0.00 0.02 0.08 51 P C C 70.98 4.91 18.90 24.44 113.20 -103.80 -64.94 149.41 97.88 0.61 1.51 95.76 1.40 0.97 0.49 0.67 0.00 0.18 0.53 52 R C T 134.27 11.01 14.20 25.46 96.60 -117.99 -67.18 -24.43 83.22 0.79 15.99 21.68 21.06 39.97 1.80 14.54 0.00 0.34 0.60 53 D C T 89.53 5.59 18.67 24.95 104.26 61.99 -94.33 65.38 85.93 0.80 13.27 27.50 15.46 42.56 1.49 12.13 0.00 0.37 0.50 54 S C C 36.83 15.46 13.12 28.39 105.27 152.88 -93.14 45.51 87.10 0.98 11.92 56.90 19.36 9.25 1.99 11.26 0.00 0.39 0.86 55 S C C 42.56 6.66 18.53 26.27 120.30 131.44 -90.58 152.13 96.73 0.49 2.78 60.17 35.30 1.03 2.43 0.39 0.00 0.09 0.59 56 P H H 72.30 10.17 15.16 26.21 91.99 -114.26 -59.32 -34.56 30.51 0.08 69.41 2.92 3.21 23.58 65.35 4.80 0.04 0.03 0.06 57 S H H 61.58 4.30 18.98 23.78 92.20 56.18 -65.38 -38.19 24.41 0.06 75.53 2.63 2.06 19.08 71.74 4.40 0.03 0.03 0.04 58 R H H 78.47 10.68 18.15 29.51 92.08 52.69 -65.51 -40.18 8.12 0.10 91.78 3.00 1.35 3.84 86.05 5.65 0.01 0.05 0.03 59 Q H H 38.55 17.60 17.57 34.64 91.89 51.17 -64.14 -41.93 5.86 0.10 94.04 2.15 0.84 2.95 89.21 4.75 0.01 0.06 0.03 60 R H H 102.86 9.25 21.53 30.99 91.78 50.82 -64.24 -41.00 7.76 0.10 92.14 1.80 1.05 4.83 87.75 4.44 0.04 0.06 0.03 61 N H H 63.12 6.16 22.82 29.41 92.38 49.30 -66.07 -40.27 17.00 0.21 82.79 3.91 2.16 11.03 78.66 4.00 0.04 0.11 0.09 62 R H H 54.35 13.60 19.92 33.62 92.61 51.59 -65.33 -41.27 21.49 0.64 77.87 6.28 4.11 12.50 73.00 3.35 0.13 0.28 0.35 63 C H H 12.88 17.08 15.10 32.91 92.24 51.40 -64.30 -41.17 15.28 0.64 84.08 8.43 2.49 5.86 79.53 3.06 0.03 0.26 0.34 64 R H H 148.82 3.22 20.06 23.84 92.47 50.28 -65.68 -39.85 10.78 0.25 88.97 2.38 1.61 7.34 83.27 5.02 0.13 0.13 0.12 65 Q H H 100.69 6.21 18.15 25.13 95.74 44.52 -74.18 -37.68 14.52 0.19 85.29 1.05 1.99 12.21 80.25 4.08 0.23 0.07 0.12 66 T H H 46.51 11.44 14.80 27.07 99.73 25.01 -101.35 -12.35 22.78 0.19 77.03 1.44 3.95 18.25 74.31 1.68 0.16 0.06 0.15 67 G C S 52.79 3.13 18.45 22.12 94.84 -117.94 78.88 10.71 99.34 0.25 0.41 36.29 38.37 24.69 0.13 0.27 0.00 0.11 0.14 68 R C C 87.77 10.49 13.95 25.61 118.90 128.40 -100.78 139.69 98.87 0.97 0.16 65.01 33.15 0.69 0.05 0.10 0.00 0.29 0.70 69 P C C 79.38 5.83 20.15 26.32 105.82 -107.81 -66.83 145.68 96.23 1.13 2.65 57.48 24.41 13.96 0.47 2.40 0.00 0.45 0.84 70 H C C 78.12 13.73 17.90 30.89 114.15 -3.64 -102.74 124.98 92.06 2.05 5.88 51.95 20.61 19.38 1.15 4.64 0.00 0.82 1.44 71 G C C 16.66 13.80 18.12 32.13 119.91 160.52 -119.88 9.29 85.95 3.74 10.31 46.43 28.61 10.90 3.33 6.86 0.01 1.69 2.17 72 F C S 63.63 13.15 19.44 32.62 99.83 -66.83 -83.03 -12.51 70.70 15.44 13.87 28.42 32.73 10.50 7.50 5.45 0.25 5.83 9.33 73 L H H 32.51 18.08 14.10 31.70 97.42 91.05 -74.30 -15.89 36.44 24.59 38.97 20.57 10.40 8.49 26.89 7.99 1.16 6.32 18.17 74 R H G 154.10 3.89 17.78 23.08 93.17 65.31 -64.37 -39.35 15.67 0.27 84.06 1.50 1.73 11.85 28.04 56.60 0.03 0.18 0.07 75 K H G 129.15 4.04 17.83 22.80 94.92 44.65 -72.90 -37.34 15.61 0.15 84.25 0.77 1.29 13.00 29.96 54.77 0.06 0.08 0.06 76 F H G 57.53 14.12 14.81 29.25 98.88 26.80 -102.60 -9.71 17.46 0.18 82.36 0.92 1.86 14.27 32.44 50.30 0.04 0.10 0.08 77 G C T 38.75 5.98 21.70 28.56 94.39 -119.82 75.36 15.69 98.96 0.43 0.61 15.52 18.98 64.59 0.21 0.32 0.00 0.23 0.15 78 L C C 20.36 18.14 16.40 34.82 132.36 112.98 -121.35 156.46 78.82 20.25 0.93 44.53 33.91 1.18 0.65 0.35 0.00 6.64 12.73 79 S C C 21.63 11.25 22.57 34.82 119.81 -108.36 -74.45 158.12 87.55 11.72 0.72 85.36 2.25 0.26 0.62 0.13 0.00 4.09 7.29 80 R H H 64.47 18.05 18.32 35.83 91.71 -112.59 -59.23 -38.02 4.00 0.01 95.99 0.61 1.02 1.92 96.27 0.17 0.00 0.00 0.01 81 I H H 77.74 7.10 24.08 31.33 92.03 53.45 -64.23 -42.22 1.43 0.00 98.57 0.16 0.16 0.96 98.58 0.15 0.00 0.00 0.00 82 K H H 74.77 9.87 24.04 34.03 91.95 48.07 -65.99 -41.04 0.50 0.00 99.50 0.08 0.04 0.30 99.44 0.14 0.00 0.00 0.00 83 V H H 2.65 25.81 16.96 43.27 91.26 50.18 -63.26 -43.48 0.17 0.00 99.83 0.03 0.01 0.08 99.85 0.04 0.00 0.00 0.00 84 R H H 82.62 13.20 22.43 35.00 91.56 50.82 -62.78 -42.53 0.18 0.00 99.82 0.03 0.01 0.09 99.86 0.02 0.00 0.00 0.00 85 E H H 90.52 3.69 24.43 27.59 91.74 49.19 -64.21 -42.30 0.18 0.00 99.82 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 86 A H H 12.20 12.44 18.03 32.38 91.43 49.85 -63.81 -41.72 0.27 0.00 99.73 0.02 0.02 0.16 99.73 0.06 0.00 0.00 0.00 87 A H H 13.98 18.14 14.39 32.67 91.89 51.01 -63.70 -41.97 0.60 0.00 99.40 0.05 0.03 0.41 99.22 0.28 0.00 0.00 0.00 88 M H H 114.02 5.21 18.01 24.22 91.01 51.45 -65.62 -30.69 3.13 0.00 96.87 0.07 0.09 3.08 96.36 0.39 0.00 0.00 0.00 89 R C T 150.85 2.23 17.25 19.31 92.36 51.36 -85.95 -2.46 64.36 0.02 35.63 0.16 0.85 64.25 34.03 0.69 0.00 0.00 0.02 90 G C T 45.65 7.21 14.07 22.64 94.63 -112.63 78.72 13.38 99.45 0.01 0.54 0.79 2.50 96.30 0.34 0.06 0.00 0.00 0.00 91 E C S 101.27 6.03 17.47 24.81 94.50 128.35 -75.33 -23.85 99.67 0.24 0.08 24.00 74.60 1.09 0.03 0.03 0.00 0.07 0.16 92 I C S 18.37 20.91 11.71 32.18 114.97 35.38 -126.10 98.30 99.31 0.59 0.10 28.16 70.46 0.65 0.03 0.05 0.00 0.16 0.49 93 P C T 75.66 6.12 20.62 27.49 112.33 -135.82 -66.05 138.29 99.03 0.29 0.68 10.23 11.87 76.74 0.08 0.71 0.00 0.16 0.19 94 G C T 39.93 6.78 19.86 27.38 95.98 21.40 85.43 -3.56 98.17 0.83 1.01 10.40 10.51 77.15 0.14 0.99 0.00 0.54 0.27 95 L C C 26.55 22.15 10.95 32.06 114.46 134.07 -79.65 133.58 93.11 5.26 1.63 81.18 9.53 1.82 0.54 1.10 0.00 2.36 3.47 96 K C C 118.29 4.62 19.81 25.61 126.21 -173.74 -121.60 148.44 87.64 9.18 3.18 78.21 6.42 2.43 1.23 1.89 0.00 5.04 4.77 97 K C C 112.65 9.12 14.67 24.67 113.46 -104.89 -72.61 141.01 76.44 7.07 16.50 56.79 11.02 7.94 2.81 14.70 0.00 4.88 1.86 98 A C C 57.57 9.99 10.46 21.12 103.07 -121.82 -75.35 60.37 78.72 2.45 18.84 41.38 16.14 19.50 1.56 19.28 0.00 1.50 0.65 99 S C C 85.78 2.34 11.95 15.43 105.04 70.02 -90.76 21.36 82.81 1.75 15.44 62.64 3.80 16.21 1.80 13.89 0.00 1.09 0.56 100 W C C 145.84 7.54 11.29 19.94 103.55 87.62 -86.30 13.03 99.82 0.11 0.07 99.61 0.17 0.11 0.02 0.01 0.00 0.05 0.02