# 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 80.52 10.19 13.28 24.20 113.01 -151.04 -84.60 136.33 99.93 0.03 0.04 99.83 0.09 0.04 0.02 0.00 0.00 0.01 0.00 1 S C C 58.89 4.18 16.27 21.08 111.65 -119.08 -77.33 149.27 84.63 0.35 15.01 80.96 0.76 2.43 15.02 0.52 0.00 0.10 0.21 2 H H H 76.13 14.59 11.94 26.01 94.06 -117.46 -63.40 -35.89 10.77 0.05 89.18 4.42 2.01 4.09 88.57 0.87 0.00 0.01 0.02 3 Q H H 101.92 5.96 16.10 23.34 92.44 54.78 -64.05 -39.28 3.55 0.01 96.43 1.11 0.53 1.70 96.07 0.58 0.00 0.00 0.00 4 K H H 115.41 2.41 19.52 21.34 92.18 50.41 -65.42 -40.90 1.80 0.01 98.19 0.78 0.23 0.76 97.72 0.50 0.00 0.00 0.00 5 I H H 25.16 14.46 17.26 32.63 91.72 50.42 -63.86 -43.34 0.83 0.01 99.17 0.32 0.08 0.36 99.04 0.19 0.00 0.00 0.00 6 I H H 16.75 19.99 17.37 37.23 91.42 49.99 -63.33 -42.69 0.37 0.00 99.63 0.11 0.03 0.17 99.62 0.07 0.00 0.00 0.00 7 Q H H 94.30 4.72 22.63 27.64 91.40 50.95 -63.49 -41.32 0.23 0.00 99.77 0.05 0.01 0.11 99.78 0.04 0.00 0.00 0.00 8 D H H 68.43 5.39 23.18 28.69 91.65 49.85 -64.93 -41.56 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 9 L H H 7.41 22.48 18.69 41.12 91.46 49.86 -64.16 -42.86 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 10 I H H 29.36 16.70 20.39 36.89 91.26 50.64 -63.21 -42.37 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 11 A H H 54.08 2.76 24.00 25.74 91.26 51.55 -63.08 -41.60 0.21 0.00 99.79 0.01 0.00 0.14 99.81 0.04 0.00 0.00 0.00 12 W H H 47.54 10.93 19.69 32.05 91.74 49.99 -64.02 -42.69 0.26 0.00 99.74 0.02 0.01 0.16 99.71 0.10 0.00 0.00 0.00 13 I H H 6.06 24.09 14.23 38.48 91.17 50.24 -63.85 -41.78 0.41 0.00 99.59 0.03 0.02 0.29 99.39 0.27 0.00 0.00 0.00 14 D H H 77.16 8.68 18.70 27.91 91.90 50.19 -66.07 -35.69 2.24 0.00 97.76 0.10 0.09 1.96 97.07 0.77 0.00 0.00 0.00 15 E H H 135.16 1.53 20.17 20.30 93.91 48.36 -75.77 -28.34 14.43 0.01 85.56 0.25 0.56 13.99 84.17 1.01 0.01 0.00 0.01 16 H C T 63.71 10.33 14.33 26.02 104.47 27.56 -117.77 20.73 66.95 0.16 32.88 10.66 4.57 49.79 32.79 1.99 0.00 0.05 0.15 17 I C T 35.19 20.57 10.27 29.53 93.96 128.37 -63.90 -27.36 97.13 0.22 2.65 5.84 4.71 86.87 1.26 1.04 0.00 0.10 0.17 18 D C T 117.39 1.96 18.01 20.03 95.61 48.81 -88.71 -3.97 98.31 0.07 1.62 1.63 9.80 87.16 0.49 0.84 0.00 0.04 0.03 19 Q C S 99.79 3.96 16.85 22.15 126.37 72.49 -117.24 147.76 99.71 0.18 0.11 9.47 89.77 0.56 0.02 0.04 0.00 0.05 0.08 20 P C C 81.67 6.05 18.85 25.84 114.84 -96.29 -65.44 146.99 99.08 0.77 0.15 92.48 5.63 0.96 0.04 0.09 0.00 0.34 0.46 21 L C C 23.75 22.19 11.85 33.48 109.41 -116.96 -82.60 119.87 96.39 3.28 0.32 92.04 3.59 0.37 0.17 0.11 0.00 1.14 2.58 22 N C C 72.81 5.55 25.31 30.79 125.05 -164.96 -110.59 148.68 97.87 1.66 0.46 93.43 4.05 0.25 0.38 0.07 0.00 0.46 1.37 23 I H H 33.49 21.06 14.28 34.66 92.32 -119.04 -59.59 -37.54 2.45 0.01 97.54 0.32 0.37 1.52 97.42 0.36 0.00 0.00 0.00 24 D H H 93.32 3.64 21.31 25.52 91.50 54.33 -63.93 -40.43 1.54 0.01 98.46 0.17 0.12 1.09 98.24 0.37 0.00 0.00 0.00 25 V H H 49.81 6.31 20.85 28.19 91.96 48.43 -64.84 -42.09 0.75 0.01 99.24 0.12 0.07 0.47 98.92 0.41 0.00 0.00 0.00 26 V H H 4.60 22.52 15.42 38.38 91.98 49.65 -64.30 -43.55 0.54 0.01 99.45 0.08 0.06 0.32 99.36 0.17 0.00 0.00 0.00 27 A H H 13.64 15.76 15.60 32.26 91.29 51.14 -62.44 -42.63 0.99 0.01 99.00 0.18 0.10 0.59 98.92 0.19 0.00 0.00 0.00 28 K H H 149.56 1.40 21.22 21.40 91.98 49.32 -64.59 -40.52 1.62 0.01 98.37 0.19 0.11 1.22 98.02 0.45 0.00 0.01 0.00 29 K H H 114.79 6.26 18.63 25.71 92.81 47.28 -68.39 -35.30 3.84 0.01 96.14 0.20 0.29 3.24 95.80 0.46 0.01 0.00 0.01 30 S H H 20.69 17.76 13.66 31.06 97.07 39.34 -91.82 -12.41 17.27 0.06 82.68 1.06 2.11 13.40 82.86 0.49 0.02 0.01 0.04 31 G C T 55.38 2.19 21.63 23.32 95.49 -117.67 78.00 15.44 99.63 0.06 0.30 21.92 9.86 67.91 0.13 0.11 0.00 0.04 0.02 32 Y C C 47.00 16.90 11.11 27.78 130.01 121.90 -111.98 157.62 98.90 0.96 0.13 71.75 26.87 0.29 0.08 0.04 0.00 0.28 0.69 33 S C C 58.27 2.94 21.95 23.80 118.43 -101.18 -74.30 157.58 99.62 0.31 0.07 99.26 0.41 0.04 0.04 0.01 0.00 0.08 0.17 34 K H H 98.46 13.80 13.26 26.83 91.83 -114.00 -58.33 -37.94 1.92 0.00 98.07 0.20 0.24 1.27 97.97 0.32 0.00 0.00 0.00 35 W H H 161.01 2.21 20.46 22.00 91.84 55.61 -64.00 -40.26 0.84 0.00 99.16 0.06 0.05 0.64 98.93 0.32 0.00 0.00 0.00 36 Y H H 81.68 7.51 19.98 28.46 91.81 49.59 -65.32 -41.56 0.30 0.00 99.70 0.03 0.02 0.19 99.37 0.39 0.00 0.00 0.00 37 L H H 3.98 24.26 14.26 38.92 91.30 50.38 -63.29 -43.39 0.16 0.00 99.84 0.01 0.01 0.09 99.77 0.12 0.00 0.00 0.00 38 Q H H 63.35 12.43 19.77 32.20 91.50 51.36 -62.59 -41.92 0.18 0.00 99.82 0.01 0.01 0.12 99.76 0.10 0.00 0.00 0.00 39 R H H 130.12 2.21 23.93 24.65 91.70 50.16 -64.48 -41.81 0.32 0.00 99.68 0.01 0.01 0.25 99.56 0.16 0.00 0.00 0.00 40 M H H 30.28 13.38 19.56 33.79 92.01 49.30 -64.81 -42.61 0.81 0.00 99.19 0.04 0.03 0.64 99.03 0.25 0.00 0.00 0.00 41 F H H 9.04 22.38 14.50 36.98 91.78 49.20 -65.57 -41.44 2.05 0.02 97.93 0.20 0.20 1.48 97.77 0.34 0.00 0.01 0.00 42 R H H 116.82 7.07 17.54 25.58 91.99 52.18 -64.56 -39.06 3.52 0.04 96.43 0.60 0.43 2.28 96.00 0.65 0.01 0.02 0.01 43 T H H 90.99 2.35 18.95 20.97 93.83 46.95 -70.40 -38.33 6.49 0.03 93.48 0.53 0.62 5.11 93.04 0.66 0.02 0.01 0.01 44 V H H 53.86 11.52 15.56 27.66 100.87 35.40 -89.14 -38.18 11.50 0.05 88.45 0.63 1.43 9.12 88.22 0.51 0.04 0.01 0.04 45 T H H 34.89 13.53 12.96 26.98 105.75 23.27 -109.99 -12.80 27.25 0.17 72.58 4.00 8.53 13.49 73.35 0.45 0.02 0.04 0.12 46 H C S 160.99 1.47 18.10 19.20 94.68 -127.69 59.48 23.94 98.86 0.21 0.93 24.56 59.63 14.70 0.61 0.30 0.00 0.09 0.12 47 Q C S 60.83 9.29 14.74 25.62 134.51 95.76 -129.80 159.50 98.35 1.03 0.61 37.92 59.26 1.35 0.39 0.17 0.00 0.38 0.54 48 T C C 48.84 7.04 21.22 28.91 119.92 -104.39 -76.68 160.01 98.04 1.34 0.62 96.31 1.52 0.20 0.50 0.06 0.00 0.34 1.07 49 L H H 27.29 20.55 16.56 36.83 91.59 -109.43 -58.30 -38.89 3.33 0.01 96.67 0.48 0.49 2.10 96.37 0.56 0.00 0.00 0.00 50 G H H 22.31 12.27 20.67 33.25 91.39 54.33 -62.58 -40.69 1.90 0.00 98.10 0.14 0.13 1.49 97.63 0.61 0.00 0.00 0.00 51 D H H 67.20 5.79 23.70 29.65 92.02 49.34 -66.42 -39.97 0.63 0.00 99.37 0.10 0.05 0.39 98.93 0.53 0.00 0.00 0.00 52 Y H H 27.19 16.50 19.49 36.24 92.01 50.77 -64.33 -43.14 0.24 0.00 99.76 0.04 0.02 0.13 99.72 0.09 0.00 0.00 0.00 53 I H H 20.97 17.92 20.27 37.99 91.80 49.44 -63.93 -43.01 0.18 0.00 99.82 0.02 0.01 0.10 99.83 0.03 0.00 0.00 0.00 54 R H H 94.12 11.52 22.47 33.59 91.87 50.65 -63.18 -41.97 0.13 0.00 99.87 0.02 0.01 0.08 99.88 0.03 0.00 0.00 0.00 55 Q H H 70.88 10.71 22.65 33.23 91.98 50.13 -64.71 -41.32 0.18 0.00 99.82 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 56 R H H 77.04 12.80 23.14 35.39 92.27 50.32 -65.46 -41.40 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.02 0.00 0.00 0.00 57 R H H 66.22 15.83 22.93 37.64 91.81 50.70 -63.77 -41.33 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.02 0.00 0.00 0.00 58 L H H 29.15 17.98 22.15 39.29 92.23 50.83 -64.56 -41.45 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 59 L H H 66.46 8.68 25.39 34.46 91.80 50.30 -64.63 -41.90 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 60 L H H 49.24 10.30 25.44 36.25 91.86 49.43 -64.74 -42.11 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 61 A H H 6.23 20.23 20.78 41.32 91.54 50.79 -63.67 -41.93 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 62 A H H 19.81 15.23 21.98 37.28 91.68 51.76 -62.70 -42.44 0.16 0.00 99.84 0.01 0.00 0.11 99.82 0.05 0.00 0.00 0.00 63 V H H 65.54 4.95 25.11 30.18 91.44 50.01 -63.83 -42.38 0.30 0.00 99.70 0.02 0.01 0.22 99.63 0.12 0.00 0.00 0.00 64 E H H 48.31 10.81 20.61 32.36 91.79 49.84 -64.36 -40.79 0.57 0.00 99.43 0.05 0.03 0.42 99.09 0.41 0.00 0.00 0.00 65 L H H 18.12 20.20 14.66 34.79 91.70 51.17 -66.07 -35.27 2.41 0.00 97.59 0.13 0.11 2.05 96.36 1.33 0.00 0.00 0.00 66 R H H 128.57 7.36 18.54 26.66 92.61 52.66 -71.73 -28.29 9.01 0.01 90.98 0.31 0.43 8.14 90.17 0.94 0.01 0.00 0.01 67 T H H 96.31 2.30 17.99 19.96 99.73 39.26 -95.91 -12.96 29.78 0.08 70.14 2.37 3.70 22.80 70.00 1.03 0.03 0.02 0.06 68 T C C 44.17 12.17 10.61 23.48 124.87 66.01 -113.57 153.18 94.28 0.49 5.23 64.94 17.66 11.17 4.70 0.91 0.00 0.16 0.46 69 E C C 162.08 1.24 16.71 17.84 98.53 -141.84 -87.02 10.96 99.03 0.42 0.55 62.01 28.78 8.30 0.21 0.28 0.00 0.21 0.20 70 R C S 89.77 8.98 13.18 23.83 120.35 118.66 -83.36 146.52 99.36 0.59 0.05 27.00 72.27 0.29 0.02 0.02 0.00 0.22 0.18 71 P C C 60.50 5.71 21.57 27.72 113.92 -99.36 -64.99 147.64 96.56 3.17 0.27 96.06 0.77 0.09 0.20 0.03 0.00 0.87 1.98 72 I H H 18.39 23.21 14.24 37.24 91.40 -117.16 -58.58 -38.73 2.38 0.01 97.61 0.32 0.31 1.58 97.11 0.66 0.00 0.00 0.00 73 F H H 80.08 13.21 20.33 33.15 91.62 54.94 -63.14 -40.32 1.02 0.00 98.98 0.12 0.08 0.70 98.55 0.54 0.00 0.00 0.00 74 D H H 76.73 3.22 24.85 27.27 92.00 49.10 -66.09 -40.54 0.47 0.00 99.53 0.11 0.04 0.25 98.93 0.67 0.00 0.00 0.00 75 I H H 9.98 18.04 18.54 37.38 91.94 50.06 -64.17 -43.18 0.30 0.00 99.70 0.05 0.03 0.16 99.55 0.21 0.00 0.00 0.00 76 A H H 3.64 22.82 15.44 38.77 91.07 51.67 -62.53 -43.39 0.48 0.00 99.51 0.08 0.04 0.28 99.32 0.28 0.00 0.00 0.00 77 M H H 100.16 6.30 20.46 27.42 91.91 50.09 -64.33 -40.58 0.72 0.00 99.28 0.06 0.04 0.54 98.73 0.63 0.00 0.00 0.00 78 D H H 93.92 4.20 21.21 26.02 91.00 53.53 -65.70 -30.50 4.74 0.00 95.26 0.08 0.14 4.85 94.18 0.73 0.00 0.00 0.00 79 L C T 30.97 17.68 15.66 33.49 94.09 50.00 -89.43 -1.86 73.35 0.01 26.63 0.16 0.75 73.73 24.41 0.93 0.00 0.00 0.01 80 G C T 39.78 5.38 23.40 29.35 98.04 -104.06 88.32 11.81 99.86 0.00 0.13 0.62 0.67 98.63 0.06 0.02 0.00 0.00 0.00 81 Y C C 24.55 21.20 10.51 31.17 115.12 141.83 -86.66 132.95 99.29 0.52 0.18 97.85 1.24 0.16 0.10 0.03 0.00 0.13 0.49 82 V C C 102.99 3.99 20.39 25.08 98.66 -170.25 -95.47 -16.95 99.63 0.21 0.16 53.99 44.94 0.74 0.07 0.05 0.00 0.06 0.14 83 S C S 47.77 4.38 22.89 27.17 138.13 16.75 -144.89 162.91 96.97 1.62 1.42 42.54 53.11 1.05 1.25 0.18 0.00 0.22 1.65 84 Q H H 76.95 16.02 13.66 29.08 91.89 -112.49 -61.34 -36.00 3.03 0.01 96.96 0.32 0.53 2.00 96.31 0.83 0.00 0.00 0.00 85 Q H H 123.14 2.15 21.68 23.60 91.37 55.95 -63.38 -40.21 2.09 0.00 97.91 0.23 0.18 1.52 97.14 0.91 0.00 0.00 0.00 86 T H H 38.21 7.85 20.08 29.37 91.69 48.90 -64.66 -42.03 1.05 0.01 98.95 0.18 0.11 0.65 98.22 0.85 0.00 0.00 0.00 87 F H H 6.37 23.91 15.88 39.96 91.43 50.23 -63.46 -43.56 0.74 0.00 99.26 0.15 0.07 0.40 99.14 0.25 0.00 0.00 0.00 88 S H H 24.16 13.44 20.22 34.18 91.44 50.91 -63.58 -41.69 0.94 0.00 99.06 0.12 0.06 0.58 99.12 0.11 0.00 0.00 0.00 89 R H H 127.44 2.34 25.35 26.26 91.84 50.20 -64.29 -42.08 0.55 0.00 99.44 0.07 0.04 0.33 99.48 0.08 0.00 0.00 0.00 90 V H H 19.07 13.38 19.98 34.56 91.68 49.15 -63.92 -43.38 0.58 0.00 99.42 0.07 0.05 0.35 99.45 0.08 0.00 0.00 0.00 91 F H H 7.16 22.89 15.00 38.18 91.47 49.33 -64.14 -42.77 0.73 0.01 99.26 0.13 0.08 0.40 99.30 0.08 0.00 0.00 0.00 92 R H H 112.47 7.77 18.13 26.71 91.80 51.09 -63.89 -40.98 0.61 0.01 99.38 0.11 0.07 0.32 99.39 0.10 0.00 0.00 0.00 93 R H H 155.58 1.84 19.83 20.94 92.98 47.51 -67.43 -40.13 0.84 0.00 99.15 0.07 0.06 0.62 99.05 0.19 0.00 0.00 0.00 94 Q H H 72.74 11.16 16.41 27.85 98.42 37.15 -84.31 -37.73 2.42 0.01 97.57 0.09 0.15 2.08 97.48 0.20 0.00 0.00 0.00 95 F H H 45.22 15.17 12.85 28.18 103.67 24.45 -110.92 -5.57 12.73 0.04 87.23 1.00 2.21 8.93 87.56 0.25 0.01 0.01 0.03 96 D C S 121.97 1.67 18.54 20.06 94.38 -127.03 59.20 31.59 99.70 0.09 0.21 21.14 60.53 18.05 0.10 0.09 0.00 0.04 0.04 97 R C S 77.80 8.96 15.45 26.09 136.35 90.23 -136.13 159.89 98.81 1.05 0.14 37.90 60.53 0.43 0.08 0.04 0.00 0.26 0.77 98 T C C 46.91 7.00 21.28 29.03 120.99 -108.31 -84.75 157.62 99.88 0.07 0.05 99.16 0.70 0.04 0.03 0.00 0.00 0.02 0.04 99 P H H 19.14 20.94 13.52 34.55 91.72 -109.60 -57.92 -37.33 9.91 0.02 90.06 1.41 1.19 6.80 81.76 8.81 0.01 0.01 0.01 100 S H H 57.83 4.46 20.38 25.31 91.69 55.01 -63.82 -37.71 7.48 0.02 92.50 0.67 0.63 5.69 82.66 10.32 0.01 0.01 0.01 101 D H H 70.01 3.65 19.36 23.20 92.20 50.90 -66.87 -37.84 5.28 0.03 94.70 0.99 0.57 3.28 82.97 12.16 0.01 0.01 0.01 102 Y H H 23.74 17.73 11.84 29.69 92.84 52.82 -66.55 -39.91 6.24 0.07 93.69 1.97 0.93 3.29 85.44 8.29 0.01 0.04 0.03 103 R H H 106.91 10.11 13.82 24.64 92.33 55.81 -64.24 -38.53 13.60 0.18 86.23 3.09 1.68 8.68 76.40 9.93 0.03 0.10 0.08 104 H H H 148.10 1.30 14.79 15.82 93.00 53.45 -69.46 -26.80 31.72 0.16 68.12 5.03 2.69 23.57 60.47 8.04 0.03 0.07 0.11 105 R C H 148.14 3.55 12.81 17.63 97.00 52.81 -81.50 -14.65 52.63 0.19 47.17 22.98 1.61 28.27 42.34 4.57 0.00 0.07 0.15 106 L C C 71.92 12.95 10.88 23.40 102.45 66.05 -81.29 -8.25 99.88 0.03 0.09 99.68 0.09 0.14 0.07 0.00 0.00 0.01 0.01