# 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 106.92 7.87 11.49 20.42 116.04 -150.93 -92.29 134.60 99.97 0.03 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.01 0.00 1 A C C 76.48 4.09 10.30 16.11 112.16 -123.96 -78.08 140.10 89.75 2.39 7.86 84.33 1.26 5.75 2.21 4.10 0.00 1.43 0.92 2 S C C 87.06 2.47 10.03 14.11 109.69 -134.68 -89.63 100.19 83.45 4.13 12.42 51.94 17.28 14.21 2.62 10.05 0.00 2.47 1.44 3 L C C 104.83 5.82 10.03 17.44 115.38 -127.52 -96.61 131.45 78.68 5.52 15.80 51.47 16.81 10.44 3.33 12.78 0.00 3.54 1.63 4 L C C 102.78 5.81 13.42 20.75 112.65 -137.33 -89.70 128.00 77.66 9.38 12.96 54.62 14.71 8.52 3.28 9.84 0.00 6.71 2.32 5 C C C 69.75 9.02 14.22 24.14 117.29 -151.34 -100.21 132.51 76.28 15.39 8.33 56.45 12.69 6.67 2.72 5.75 0.01 10.47 5.26 6 C C C 41.62 14.49 12.59 27.16 114.67 -148.24 -100.36 123.07 79.22 18.08 2.70 65.50 10.26 2.17 1.57 1.27 0.00 8.06 11.16 7 G C C 27.56 6.67 16.68 24.40 123.95 -123.60 -80.48 172.56 97.33 0.71 1.97 83.55 12.73 0.77 2.23 0.15 0.00 0.25 0.32 8 P H H 98.48 3.40 15.56 19.96 92.29 -84.22 -61.12 -36.36 6.88 0.02 93.09 0.87 0.88 4.93 92.40 0.90 0.01 0.01 0.01 9 K H H 133.33 2.31 17.59 20.08 91.82 52.15 -64.85 -39.04 3.60 0.02 96.38 0.43 0.31 2.74 95.60 0.90 0.01 0.01 0.00 10 L H H 44.84 13.38 15.17 28.95 92.23 50.29 -66.32 -40.10 0.78 0.00 99.21 0.18 0.08 0.44 98.53 0.76 0.00 0.00 0.00 11 A H H 32.68 11.51 16.02 28.53 91.63 53.18 -63.14 -41.64 0.35 0.00 99.64 0.08 0.03 0.18 99.42 0.28 0.00 0.00 0.00 12 A H H 61.98 2.53 22.12 23.47 91.65 50.19 -64.15 -41.83 0.39 0.00 99.61 0.07 0.03 0.23 99.45 0.23 0.00 0.00 0.00 13 C H H 49.93 7.01 19.88 27.69 91.87 50.05 -64.45 -42.12 0.50 0.01 99.49 0.09 0.04 0.31 99.31 0.24 0.00 0.00 0.00 14 G H H 12.29 16.90 16.11 33.10 91.99 51.93 -63.45 -40.99 0.60 0.00 99.40 0.08 0.03 0.40 99.29 0.20 0.00 0.00 0.00 15 I H H 90.52 5.53 20.68 26.51 91.84 51.00 -64.61 -41.64 0.88 0.01 99.11 0.09 0.06 0.66 98.95 0.21 0.01 0.00 0.00 16 V H H 84.43 2.75 22.05 23.97 92.03 49.14 -64.75 -42.35 0.80 0.01 99.19 0.11 0.07 0.55 99.09 0.16 0.01 0.00 0.01 17 L H H 50.39 12.51 18.51 31.28 92.28 48.61 -65.46 -41.53 0.68 0.01 99.32 0.12 0.05 0.41 99.22 0.19 0.00 0.00 0.00 18 S H H 33.82 13.68 17.35 31.20 91.87 51.92 -63.83 -40.39 1.47 0.00 98.52 0.14 0.07 1.10 98.36 0.33 0.00 0.00 0.00 19 A H H 60.74 3.14 21.99 24.28 92.07 50.25 -65.18 -41.40 1.80 0.00 98.19 0.14 0.09 1.37 98.01 0.39 0.00 0.00 0.00 20 W H H 117.43 5.16 21.04 26.42 92.17 49.57 -65.99 -40.74 1.64 0.00 98.36 0.23 0.11 1.10 98.25 0.30 0.00 0.00 0.00 21 G H H 11.15 16.57 15.77 32.78 91.72 53.91 -63.42 -42.00 0.95 0.00 99.05 0.14 0.05 0.58 99.04 0.19 0.00 0.00 0.00 22 V H H 67.82 7.40 20.10 27.77 92.01 50.36 -64.50 -41.88 0.48 0.00 99.52 0.05 0.02 0.31 99.47 0.14 0.00 0.00 0.00 23 I H H 95.61 2.43 22.24 23.56 91.83 48.67 -64.61 -42.08 0.32 0.00 99.68 0.03 0.01 0.21 99.61 0.13 0.00 0.00 0.00 24 M H H 58.80 10.90 18.67 30.18 92.31 49.73 -65.54 -41.01 0.37 0.00 99.63 0.04 0.01 0.24 99.55 0.16 0.00 0.00 0.00 25 L H H 42.59 15.73 16.94 32.65 91.80 52.03 -63.51 -40.61 0.52 0.00 99.48 0.04 0.01 0.40 99.37 0.17 0.00 0.00 0.00 26 I H H 90.00 4.57 21.21 25.68 92.11 50.30 -64.89 -41.60 0.67 0.00 99.33 0.05 0.02 0.52 99.24 0.17 0.00 0.00 0.00 27 M H H 90.85 4.50 21.64 26.10 91.98 49.57 -65.06 -41.68 0.65 0.00 99.35 0.05 0.03 0.45 99.31 0.15 0.00 0.00 0.00 28 L H H 36.23 14.87 17.63 32.84 91.74 51.24 -64.18 -41.41 0.63 0.00 99.37 0.06 0.03 0.40 99.30 0.21 0.00 0.00 0.00 29 G H H 19.65 11.03 17.67 29.73 91.44 52.58 -62.97 -41.35 0.92 0.00 99.08 0.09 0.04 0.62 98.89 0.36 0.00 0.00 0.00 30 I H H 87.58 3.11 21.22 23.89 91.76 50.30 -64.21 -42.18 0.82 0.00 99.17 0.06 0.05 0.61 98.70 0.58 0.00 0.00 0.00 31 F H H 63.87 8.77 17.34 27.45 92.19 50.20 -64.75 -41.30 1.16 0.01 98.83 0.10 0.09 0.87 98.05 0.89 0.00 0.00 0.00 32 F H H 53.86 14.54 14.13 29.04 92.27 50.74 -65.57 -39.83 3.36 0.01 96.63 0.24 0.20 2.82 95.42 1.31 0.01 0.01 0.00 33 N H H 94.89 5.37 17.13 23.17 92.48 50.36 -69.60 -33.38 10.11 0.02 89.86 0.35 0.54 9.35 88.67 1.05 0.03 0.01 0.01 34 V C T 93.40 2.83 16.92 19.75 98.01 39.87 -94.00 -4.44 60.48 0.12 39.40 1.22 3.71 54.31 38.97 1.60 0.03 0.04 0.11 35 H C T 119.03 7.61 15.08 23.64 98.68 -106.22 58.78 34.18 86.42 0.18 13.39 9.45 5.20 70.38 13.61 1.18 0.00 0.07 0.12 36 S C C 38.22 9.57 13.73 24.93 113.72 155.73 -90.27 131.66 86.83 1.88 11.28 79.25 4.51 3.58 6.90 3.65 0.00 0.77 1.33 37 A H G 52.61 10.30 14.79 25.94 95.00 -146.56 -67.33 -23.04 36.35 1.25 62.40 14.24 7.03 15.51 17.23 44.81 0.02 0.71 0.45 38 V H G 76.40 6.88 16.62 24.66 92.40 75.85 -65.30 -27.86 30.38 1.96 67.66 7.74 5.53 17.20 18.27 49.42 0.06 1.29 0.49 39 L H G 62.80 10.83 14.63 26.30 93.66 58.58 -76.44 -16.94 29.99 2.04 67.96 10.31 5.81 14.70 16.69 50.58 0.02 1.34 0.53 40 I C G 52.09 14.13 11.88 26.07 100.74 67.03 -84.70 11.91 51.94 4.17 43.89 27.53 12.82 12.52 13.88 29.15 0.08 2.10 1.91 41 E C T 124.03 4.72 14.39 20.62 95.97 109.08 -69.24 -26.70 72.59 1.65 25.76 20.22 13.59 39.16 7.46 17.79 0.02 0.82 0.93 42 D C T 115.50 1.96 15.08 17.20 96.80 50.17 -86.08 -3.90 80.68 0.75 18.56 22.02 17.55 41.06 3.61 14.92 0.00 0.36 0.47 43 V C S 46.95 13.59 8.86 22.70 116.96 89.92 -102.96 123.73 97.39 1.32 1.29 40.89 54.55 2.13 0.52 0.60 0.00 0.48 0.83 44 P C C 99.75 2.27 17.96 20.20 109.43 -128.74 -70.22 129.27 98.44 0.67 0.89 87.15 8.51 2.84 0.27 0.54 0.00 0.34 0.36 45 F C C 70.95 16.32 8.64 23.79 121.65 -162.96 -107.83 137.13 97.14 1.18 1.67 88.67 6.95 1.53 0.80 0.67 0.00 0.45 0.93 46 T C C 68.96 3.16 16.79 20.30 127.69 -168.52 -114.66 162.23 96.14 0.96 2.90 87.78 6.20 2.32 1.44 1.15 0.00 0.39 0.72 47 E C G 130.45 5.11 11.34 18.31 92.36 -105.61 -61.44 -30.75 50.47 0.53 49.01 12.66 12.78 24.90 18.72 30.28 0.02 0.23 0.41 48 K H G 152.47 1.24 14.32 15.19 93.71 60.31 -72.15 -25.88 49.41 0.55 50.04 12.37 10.36 26.13 18.87 31.58 0.02 0.25 0.41 49 D H G 56.33 7.98 11.07 20.69 98.04 58.09 -82.87 -6.82 46.19 0.86 52.96 26.65 7.71 11.59 19.92 33.27 0.00 0.42 0.43 50 F H G 82.09 12.32 9.99 22.42 94.95 82.12 -70.39 -24.29 46.13 0.67 53.20 19.14 7.70 19.02 24.25 29.12 0.01 0.31 0.43 51 E C T 141.75 1.80 14.75 16.82 95.30 62.43 -75.12 -22.01 52.57 0.52 46.91 10.66 9.78 31.17 21.25 26.43 0.04 0.24 0.43 52 N C T 105.64 2.79 13.72 17.30 100.02 49.16 -93.99 2.81 63.91 0.60 35.49 21.61 16.39 26.74 15.17 19.29 0.01 0.23 0.55 53 G C C 23.35 7.31 13.97 23.02 124.75 -120.90 90.88 173.67 68.82 0.29 30.89 43.43 19.08 5.07 30.14 2.00 0.00 0.07 0.21 54 P H H 72.10 8.68 13.47 23.15 93.47 -60.29 -63.33 -35.53 17.32 0.09 82.59 5.01 3.14 9.58 79.10 3.07 0.02 0.04 0.05 55 Q H H 121.55 1.77 17.54 18.80 92.25 53.68 -65.11 -39.24 8.20 0.06 91.73 2.43 1.18 4.66 89.06 2.60 0.02 0.03 0.03 56 N H H 71.76 4.92 16.88 22.90 92.62 49.93 -66.12 -39.21 3.88 0.05 96.08 1.89 0.58 1.64 93.78 2.07 0.00 0.02 0.02 57 I H H 31.60 14.75 14.13 29.48 92.21 50.75 -64.47 -42.59 2.10 0.02 97.88 0.85 0.25 0.98 96.99 0.90 0.00 0.01 0.01 58 Y H H 103.56 7.59 18.76 27.06 91.71 50.43 -63.93 -41.61 1.44 0.01 98.55 0.45 0.15 0.73 98.16 0.49 0.00 0.00 0.00 59 N H H 88.21 2.28 22.14 23.06 91.81 49.40 -64.71 -41.36 1.62 0.00 98.38 0.32 0.14 1.03 98.10 0.41 0.00 0.00 0.00 60 L H H 54.89 8.63 19.13 28.90 92.09 50.22 -64.49 -41.43 1.75 0.00 98.24 0.27 0.13 1.18 98.01 0.40 0.00 0.00 0.00 61 Y H H 46.88 16.56 16.87 33.34 92.27 50.43 -64.24 -41.58 1.40 0.00 98.59 0.28 0.12 0.82 98.35 0.42 0.00 0.00 0.00 62 E H H 98.87 5.45 22.08 27.76 91.91 49.88 -64.29 -40.81 2.34 0.00 97.66 0.37 0.18 1.52 97.50 0.42 0.00 0.00 0.00 63 Q H H 95.04 3.17 23.77 26.20 91.83 49.34 -65.53 -41.35 2.79 0.00 97.20 0.27 0.20 2.00 97.17 0.35 0.00 0.00 0.00 64 V H H 29.68 14.05 19.80 34.27 92.30 49.40 -64.98 -42.29 2.51 0.00 97.48 0.55 0.27 1.44 97.38 0.35 0.00 0.00 0.00 65 S H H 22.24 14.85 18.93 34.21 91.79 52.09 -63.05 -41.65 2.24 0.00 97.76 0.39 0.16 1.42 97.57 0.45 0.00 0.00 0.00 66 Y H H 127.73 3.12 25.19 27.60 91.74 49.83 -64.60 -41.54 1.51 0.00 98.49 0.21 0.11 1.02 98.30 0.36 0.00 0.00 0.00 67 N H H 64.31 7.25 23.56 31.18 91.88 49.62 -65.18 -41.21 1.45 0.00 98.55 0.19 0.10 1.01 98.43 0.27 0.00 0.00 0.00 68 C H H 14.80 19.48 18.14 37.55 91.93 50.80 -64.53 -42.38 0.80 0.00 99.20 0.11 0.06 0.51 99.21 0.11 0.00 0.00 0.00 69 F H H 89.29 8.85 23.46 32.39 91.70 50.17 -64.54 -42.13 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.03 0.00 0.00 0.00 70 I H H 92.90 2.94 26.08 28.13 91.55 48.82 -63.83 -42.92 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 71 A H H 18.76 13.69 20.75 35.14 91.56 49.69 -63.86 -42.47 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 72 A H H 19.46 15.60 19.88 35.85 91.30 51.30 -63.13 -42.06 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 73 G H H 35.23 3.93 24.35 27.95 91.37 50.16 -63.47 -42.02 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 74 L H H 73.36 6.02 23.23 29.67 91.55 49.77 -64.39 -42.03 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 75 Y H H 50.44 16.66 18.78 35.03 91.78 51.01 -63.79 -41.94 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 76 L H H 76.83 7.39 22.08 29.72 91.73 49.67 -63.89 -41.91 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 77 L H H 90.55 3.09 23.33 25.73 91.71 49.32 -64.36 -42.38 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 78 L H H 46.62 12.20 19.49 32.14 91.82 49.46 -64.47 -41.96 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 79 G H H 22.70 11.69 19.34 31.47 91.72 51.07 -62.87 -42.13 0.14 0.00 99.86 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 80 G H H 37.45 2.96 22.72 24.77 91.49 49.60 -64.11 -42.04 0.22 0.00 99.78 0.01 0.00 0.16 99.79 0.03 0.00 0.00 0.00 81 F H H 95.93 5.08 21.44 26.88 91.88 49.11 -65.07 -42.18 0.18 0.00 99.82 0.01 0.01 0.12 99.84 0.03 0.00 0.00 0.00 82 S H H 22.72 13.74 16.90 31.45 91.84 51.25 -63.64 -42.22 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 83 F H H 102.86 4.58 21.29 25.98 91.71 50.07 -63.84 -41.80 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 84 C H H 67.36 2.68 20.82 22.74 91.67 49.80 -64.26 -41.89 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 85 Q H H 58.14 8.96 17.07 27.41 92.08 50.51 -65.12 -40.92 0.21 0.00 99.79 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 86 V H H 56.57 7.81 17.02 26.10 91.82 50.65 -63.98 -41.75 0.27 0.00 99.73 0.03 0.01 0.17 99.71 0.08 0.00 0.00 0.00 87 R H H 127.18 2.13 18.93 20.25 91.80 50.03 -64.19 -41.32 0.55 0.00 99.45 0.05 0.03 0.37 99.40 0.15 0.00 0.00 0.00 88 L H H 77.33 3.61 16.70 21.09 91.70 49.65 -64.69 -41.00 1.60 0.00 98.40 0.17 0.11 1.12 98.26 0.34 0.00 0.00 0.00 89 N H H 58.60 6.48 13.95 22.33 92.01 50.96 -65.16 -39.54 5.93 0.01 94.06 0.84 0.51 4.12 93.70 0.81 0.00 0.00 0.01 90 K H H 113.89 2.75 15.34 18.57 92.12 51.40 -65.78 -38.68 13.41 0.04 86.55 2.19 1.37 9.36 85.09 1.93 0.01 0.02 0.03 91 R H H 136.11 2.18 13.75 16.39 92.88 52.29 -67.24 -37.03 18.12 0.12 81.76 5.48 2.75 10.17 77.62 3.85 0.02 0.05 0.07 92 K H H 118.96 3.30 12.20 16.73 94.03 54.17 -69.46 -34.36 23.94 0.26 75.80 9.27 3.79 11.25 67.55 7.86 0.02 0.12 0.14 93 E H H 123.66 2.56 11.25 14.94 95.12 56.49 -71.82 -26.44 36.35 0.41 63.24 12.89 4.91 18.81 54.70 8.25 0.03 0.20 0.22 94 Y C H 161.42 2.10 9.60 12.76 100.38 54.18 -86.54 -2.48 51.13 1.17 47.71 21.68 8.12 22.32 39.99 6.72 0.04 0.57 0.57 95 M C C 128.09 2.54 7.55 11.92 107.89 90.34 -85.85 101.05 71.38 5.28 23.34 46.70 11.67 12.14 20.88 3.66 0.02 2.88 2.05 96 V C C 117.98 1.84 7.11 10.65 110.19 -157.07 -91.60 114.91 88.86 2.85 8.29 81.43 1.22 6.23 7.24 1.06 0.00 1.81 1.01 97 R C C 171.83 2.14 9.69 13.57 111.94 -158.07 -94.49 120.65 99.91 0.07 0.02 99.87 0.05 0.03 0.01 0.00 0.00 0.04 0.00