# 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 126.20 3.87 11.08 16.79 114.49 -154.35 -97.22 126.57 99.82 0.17 0.01 99.79 0.08 0.02 0.00 0.00 0.00 0.08 0.02 1 V C C 96.44 4.87 8.06 14.74 116.48 -151.40 -96.92 133.88 87.82 7.56 4.63 85.15 1.08 2.67 1.80 1.89 0.00 5.52 1.91 2 Q C C 133.73 2.51 9.46 13.74 116.15 -152.94 -99.09 131.34 79.21 14.15 6.64 58.80 13.50 6.72 2.02 4.59 0.00 12.17 2.19 3 R C C 146.85 4.38 10.05 16.42 120.90 -163.58 -112.79 138.52 72.55 19.70 7.76 57.00 9.95 5.33 2.62 5.19 0.01 16.83 3.06 4 L C C 93.25 7.57 10.12 19.24 115.85 -134.09 -92.06 131.26 73.00 22.27 4.72 63.53 6.17 2.52 2.16 2.47 0.00 19.00 4.14 5 T C C 75.68 6.53 12.83 20.99 118.35 -163.18 -107.33 134.24 76.31 19.93 3.77 59.16 12.32 4.18 1.65 2.21 0.00 16.99 3.48 6 Y C C 122.03 7.84 11.98 21.18 118.28 -135.87 -104.59 128.53 79.10 18.11 2.79 58.35 16.10 4.34 1.16 1.79 0.00 14.03 4.23 7 R C C 133.26 6.52 12.17 20.37 117.80 -163.63 -106.89 131.32 86.52 12.06 1.42 72.59 10.80 2.62 0.54 0.90 0.00 9.62 2.93 8 R C C 140.69 5.54 12.08 19.30 117.16 -148.79 -101.24 133.66 89.29 9.34 1.37 74.24 11.97 2.75 0.51 0.88 0.00 6.51 3.15 9 R C C 136.52 5.94 11.61 19.18 116.13 -134.67 -93.12 136.10 91.85 6.47 1.69 78.98 10.22 2.43 0.62 1.05 0.00 3.80 2.90 10 L C C 95.42 7.21 11.03 19.50 106.65 -119.33 -76.37 119.95 83.47 3.47 13.05 62.69 10.05 9.19 1.81 12.81 0.00 2.03 1.42 11 S C T 78.71 3.59 13.00 17.97 98.93 -118.35 -76.94 -14.34 80.39 2.75 16.87 27.11 23.11 30.16 1.78 15.33 0.00 1.47 1.03 12 Y C C 123.25 7.17 12.17 20.61 103.51 58.06 -95.74 19.37 76.53 6.20 17.27 31.37 19.50 26.51 2.27 14.69 0.01 3.24 2.40 13 N C C 71.46 10.37 10.75 22.06 112.50 107.52 -91.60 121.75 89.31 6.05 4.64 70.74 14.14 3.97 1.59 3.07 0.00 3.19 3.29 14 T C C 56.98 7.44 12.24 21.33 126.38 -162.12 -113.96 160.29 86.97 8.56 4.47 64.70 16.46 4.68 1.90 2.59 0.00 3.31 6.35 15 A C T 89.21 2.37 13.91 17.39 93.96 -104.37 -66.91 -25.27 76.41 1.94 21.64 12.61 21.94 42.18 2.19 19.05 0.01 1.04 0.98 16 S C T 65.58 5.14 13.62 19.98 97.71 59.56 -83.05 -6.82 77.40 2.20 20.40 12.33 19.49 45.39 1.84 18.77 0.01 1.29 0.87 17 N C C 66.08 12.75 11.91 24.63 110.86 80.59 -86.36 114.73 72.31 9.24 18.44 36.80 21.20 15.36 2.05 16.31 0.01 6.43 1.85 18 K C C 99.09 6.67 17.38 25.04 116.16 -156.86 -96.91 136.22 70.75 28.21 1.04 58.75 8.34 2.24 0.22 0.82 0.00 28.38 1.24 19 T E E 60.15 13.48 13.80 27.38 124.06 -155.09 -113.50 138.60 14.10 85.84 0.06 13.11 0.79 0.10 0.02 0.04 0.00 85.56 0.39 20 R E E 98.19 7.74 17.49 26.61 128.81 -174.61 -130.41 146.73 1.89 98.10 0.01 1.81 0.09 0.01 0.00 0.01 0.00 98.01 0.07 21 L E E 87.79 8.52 15.82 25.52 115.98 -124.78 -89.14 132.16 1.33 98.67 0.00 1.30 0.03 0.00 0.00 0.00 0.00 98.63 0.04 22 S E E 28.26 11.64 13.43 26.57 130.79 -176.84 -128.62 154.04 2.18 97.81 0.01 2.01 0.08 0.01 0.00 0.00 0.00 97.85 0.05 23 R E E 149.00 3.77 15.31 20.57 115.65 -123.57 -97.49 129.85 7.56 92.42 0.02 6.88 0.49 0.04 0.01 0.01 0.00 91.89 0.67 24 T C C 33.76 12.45 8.52 21.62 123.10 -148.86 -91.06 161.34 90.61 9.25 0.14 89.04 1.31 0.25 0.02 0.09 0.00 8.78 0.51 25 P C T 101.10 3.08 12.14 16.57 107.66 -88.16 -62.48 136.48 87.81 1.26 10.93 1.97 6.61 77.07 0.23 12.96 0.00 0.91 0.24 26 G C T 58.22 1.64 12.02 13.92 97.31 19.36 76.84 -1.24 88.61 0.22 11.18 0.97 5.01 80.24 0.21 13.35 0.00 0.12 0.08 27 N C S 122.97 2.35 11.94 15.66 96.50 -94.71 73.30 15.93 89.88 1.13 8.99 15.30 53.70 19.76 0.45 9.71 0.00 0.63 0.44 28 R C C 115.34 4.93 11.84 18.83 118.71 136.97 -90.39 141.74 76.03 23.81 0.17 70.99 3.70 0.47 0.04 0.12 0.00 23.17 1.50 29 I E E 77.84 8.31 13.77 23.86 115.36 -129.79 -93.57 128.07 2.94 97.05 0.00 2.72 0.11 0.01 0.00 0.00 0.00 97.01 0.15 30 V E E 35.73 12.02 14.94 28.75 123.37 -169.70 -119.27 136.68 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 31 Y E E 68.27 11.74 16.98 30.14 117.88 -146.43 -105.32 129.09 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 32 L E E 43.26 12.04 17.88 31.38 118.76 -161.13 -108.47 129.11 0.77 99.23 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.24 0.03 33 Y E E 61.60 13.13 16.40 30.57 120.35 -164.72 -112.08 132.17 11.09 88.88 0.02 10.28 0.52 0.04 0.01 0.01 0.00 88.75 0.39 34 T E E 50.69 10.26 17.03 28.44 117.92 -161.69 -106.88 129.24 49.05 50.47 0.47 43.68 3.90 0.66 0.15 0.31 0.00 49.87 1.43 35 K C C 107.18 9.09 14.32 24.38 106.75 -149.48 -90.83 90.57 79.70 19.21 1.09 60.44 16.79 2.62 0.31 0.84 0.00 16.54 2.46 36 K C C 119.39 4.65 15.12 21.09 119.78 -105.99 -101.18 137.81 88.35 10.24 1.41 66.78 18.01 3.59 0.41 1.12 0.00 6.28 3.81 37 V C T 97.10 6.53 12.56 20.65 111.27 -106.87 -70.20 135.16 91.59 5.98 2.43 20.13 18.21 53.53 0.41 2.07 0.00 3.71 1.94 38 G C T 44.97 5.57 14.57 21.38 108.45 19.34 87.44 -1.94 95.48 3.15 1.38 17.04 21.84 56.68 0.16 1.37 0.00 2.26 0.66 39 K C C 131.83 3.66 17.19 22.19 119.14 110.62 -105.06 137.33 89.81 9.42 0.77 61.53 25.26 2.86 0.19 0.69 0.00 3.89 5.58 40 A C C 37.77 15.76 12.07 27.59 121.24 -123.41 -86.27 146.82 93.41 6.44 0.15 75.07 18.02 0.65 0.04 0.12 0.00 3.80 2.30 41 P C C 44.23 12.72 15.07 28.71 115.55 -102.29 -65.38 150.19 94.75 5.02 0.24 85.59 8.14 1.20 0.05 0.20 0.00 3.34 1.48 42 K C C 142.68 4.22 18.79 24.41 112.64 -128.26 -82.15 132.47 78.85 20.51 0.64 64.93 11.43 1.41 0.27 0.45 0.00 10.88 10.62 43 S C C 39.26 13.49 15.30 29.00 129.02 49.35 -115.67 149.17 73.58 25.63 0.78 62.06 8.67 1.83 0.24 0.67 0.00 20.01 6.52 44 A C C 53.93 8.69 20.20 29.36 126.03 -151.10 -114.97 148.52 57.56 41.38 1.07 41.57 13.21 2.57 0.41 0.84 0.01 23.81 17.59 45 C C C 24.84 18.69 12.58 30.88 112.09 -116.98 -84.65 128.20 71.68 27.16 1.15 48.54 15.92 6.96 0.40 1.00 0.01 16.48 10.69 46 G C S 46.58 5.20 19.01 24.61 97.34 -140.91 -47.20 -30.06 97.78 1.71 0.52 3.74 47.66 46.55 0.03 0.52 0.00 1.21 0.29 47 V C S 81.66 7.69 17.22 25.57 100.86 31.24 -97.39 -24.58 97.57 1.90 0.53 2.24 51.06 44.64 0.03 0.44 0.00 1.20 0.40 48 C C S 33.04 14.47 10.94 25.72 118.45 37.59 -125.38 112.88 86.62 12.88 0.50 15.87 65.15 6.00 0.08 0.44 0.00 6.85 5.61 49 P C S 103.96 2.81 17.07 20.68 98.44 -130.97 -68.65 5.40 91.30 7.62 1.08 20.43 38.81 32.29 0.09 1.21 0.00 5.99 1.18 50 G C S 37.25 5.03 18.45 24.14 131.81 57.54 -116.31 -38.93 84.78 13.90 1.32 22.59 41.11 21.52 0.18 1.27 0.00 11.52 1.81 51 R C C 124.24 8.02 19.24 27.88 117.47 -65.40 -82.06 138.98 52.21 46.88 0.91 43.10 6.51 0.99 0.44 0.54 0.00 17.42 31.01 52 L C C 11.10 23.74 11.76 35.31 112.36 -127.92 -88.18 127.29 73.91 25.14 0.95 69.26 3.11 0.87 0.32 0.66 0.00 14.71 11.07 53 R C T 136.67 5.43 23.19 29.36 112.43 -135.87 -75.03 135.20 85.84 12.54 1.62 17.04 16.56 53.08 0.29 1.38 0.01 9.34 2.30 54 G C T 29.86 10.31 21.13 31.44 99.95 23.75 89.29 -2.78 89.19 9.48 1.33 14.58 19.38 55.67 0.20 1.21 0.00 7.90 1.05 55 V C C 12.99 23.96 12.68 36.26 116.60 118.20 -92.19 129.34 73.50 26.00 0.50 63.52 8.46 0.68 0.23 0.34 0.00 18.95 7.81 56 R C C 120.60 6.20 24.44 31.08 120.78 -153.21 -102.19 140.67 61.73 37.90 0.37 58.91 2.15 0.38 0.20 0.20 0.00 28.95 9.22 57 A C C 48.60 14.86 17.14 31.53 114.24 -110.31 -71.56 137.09 73.71 25.82 0.47 65.97 7.04 0.59 0.25 0.27 0.00 20.10 5.79 58 V C C 31.62 15.63 13.61 29.68 126.23 -166.37 -119.04 148.14 88.78 10.82 0.40 78.20 10.73 0.33 0.29 0.14 0.00 5.24 5.06 59 R C C 123.84 3.40 19.36 22.57 115.69 -104.28 -73.27 147.60 99.05 0.53 0.41 95.77 3.19 0.20 0.35 0.05 0.00 0.23 0.21 60 P H H 72.24 9.42 11.48 22.18 91.60 -112.17 -57.31 -38.06 10.85 0.12 89.03 2.30 1.65 6.81 79.00 10.09 0.03 0.06 0.05 61 K H H 145.46 1.14 15.85 16.07 91.64 54.94 -64.66 -36.57 7.22 0.11 92.67 1.06 0.83 4.98 80.99 12.01 0.03 0.07 0.03 62 V H H 61.01 6.05 14.15 21.85 93.25 48.86 -68.75 -38.45 4.44 0.14 95.43 1.03 0.58 2.68 84.00 11.56 0.02 0.11 0.02 63 L H H 36.57 16.91 10.06 26.37 91.87 54.16 -64.99 -37.40 4.73 0.10 95.17 1.01 0.54 2.91 82.91 12.53 0.01 0.08 0.02 64 M H H 122.92 3.67 14.97 19.87 91.09 58.64 -68.59 -22.67 38.37 0.15 61.48 1.14 1.42 36.14 49.80 11.21 0.10 0.08 0.11 65 R C T 177.88 1.02 16.19 15.94 94.83 55.15 -88.14 -6.70 59.80 0.16 40.04 1.66 2.50 56.31 30.20 9.07 0.04 0.08 0.14 66 L C S 39.19 15.67 6.84 21.80 119.25 103.97 -77.08 146.86 95.77 0.83 3.40 36.78 56.69 2.10 2.77 0.64 0.00 0.19 0.84 67 S C C 60.90 2.31 16.69 18.64 118.44 -115.16 -75.58 157.38 96.67 2.21 1.12 93.67 2.07 0.48 0.61 0.30 0.00 0.58 2.29 68 K H G 134.40 6.80 11.04 19.56 91.85 -110.47 -59.40 -34.16 32.68 0.38 66.94 2.03 4.02 25.41 2.86 65.24 0.01 0.22 0.22 69 T H G 105.65 1.89 14.73 17.06 92.26 60.60 -71.06 -21.71 34.32 0.23 65.45 1.33 3.21 28.30 2.68 64.21 0.01 0.13 0.14 70 Q H G 103.73 5.70 14.68 21.60 95.78 52.48 -89.45 -5.18 30.40 0.49 69.11 5.36 6.15 17.59 3.04 67.35 0.01 0.27 0.24 71 K C C 61.35 16.51 12.03 27.88 109.34 93.28 -82.66 115.95 90.81 1.89 7.31 67.24 20.34 3.12 3.82 3.10 0.00 0.64 1.74 72 H C C 98.81 6.75 20.31 27.84 125.44 144.67 -117.90 143.84 85.60 12.43 1.97 72.58 9.45 1.16 1.28 0.68 0.00 3.44 11.40 73 V C C 35.37 18.62 12.57 30.61 110.88 -129.95 -86.28 122.40 90.98 7.01 2.02 78.64 9.76 1.92 1.10 0.87 0.00 3.24 4.45 74 S C C 77.31 4.26 19.14 24.26 99.99 157.27 -100.47 -10.36 93.59 4.96 1.44 73.51 17.43 2.26 0.70 0.72 0.00 2.09 3.30 75 R C S 110.18 5.92 17.49 24.54 129.44 55.09 -114.96 158.39 81.66 7.94 10.40 24.58 45.75 10.46 4.18 5.07 0.15 2.42 7.39 76 A C T 56.31 11.53 15.36 27.06 95.10 -99.92 -63.81 -29.81 81.27 0.89 17.84 3.25 13.57 64.32 2.94 14.72 0.01 0.46 0.72 77 Y C T 117.98 9.51 16.20 26.23 97.75 31.84 -87.12 7.25 79.91 1.61 18.48 4.58 12.45 62.26 2.69 16.09 0.02 0.93 0.99 78 G C T 29.65 11.66 15.09 27.03 108.10 102.90 -50.21 16.89 74.45 6.91 18.63 24.23 22.08 28.60 4.28 13.49 0.10 2.78 4.44 79 G C T 34.32 8.88 16.65 26.04 119.27 21.63 84.83 -160.20 83.34 3.26 13.40 17.28 24.36 41.61 2.53 10.73 0.01 1.53 1.96 80 S C S 66.61 7.54 18.27 26.31 97.63 -40.54 -86.21 -11.40 82.68 4.30 13.01 14.33 35.05 34.21 3.11 9.01 0.02 2.36 1.91 81 M C S 66.96 12.72 16.87 29.67 117.27 78.90 -90.67 145.51 72.68 18.79 8.53 23.03 39.47 9.38 4.14 3.80 0.15 6.65 13.37 82 C C C 35.31 10.94 18.63 30.41 116.30 -99.23 -77.45 147.90 87.93 8.99 3.08 79.92 5.63 1.34 2.57 0.61 0.00 3.17 6.75 83 A H H 36.11 14.28 16.26 30.75 92.50 -117.39 -60.66 -36.06 3.79 0.02 96.19 0.84 0.65 2.18 95.62 0.69 0.00 0.01 0.01 84 K H H 123.52 3.28 23.05 26.53 91.92 54.02 -64.60 -40.49 1.78 0.01 98.21 0.21 0.18 1.31 97.58 0.71 0.00 0.00 0.00 85 C H H 31.87 9.23 20.03 30.47 92.11 49.17 -65.79 -42.05 1.14 0.01 98.85 0.24 0.12 0.74 98.10 0.79 0.00 0.00 0.00 86 V H H 10.55 19.69 16.82 36.96 91.94 50.20 -63.98 -43.55 0.45 0.00 99.55 0.16 0.05 0.21 99.45 0.12 0.00 0.00 0.00 87 R H H 91.01 10.60 20.94 31.46 91.56 50.89 -63.05 -42.20 0.35 0.00 99.65 0.09 0.03 0.19 99.63 0.05 0.00 0.00 0.00 88 D H H 73.63 3.42 23.03 26.00 91.72 49.53 -64.73 -41.41 0.30 0.00 99.70 0.09 0.03 0.16 99.69 0.04 0.00 0.00 0.00 89 R H H 79.73 10.50 20.42 31.20 92.06 49.43 -65.50 -41.33 0.23 0.00 99.77 0.05 0.02 0.12 99.78 0.03 0.00 0.00 0.00 90 I H H 30.89 17.19 17.93 35.11 92.03 49.41 -64.70 -42.52 0.17 0.00 99.83 0.05 0.01 0.09 99.84 0.02 0.00 0.00 0.00 91 K H H 99.32 7.34 20.97 28.48 91.60 50.20 -63.00 -42.16 0.17 0.00 99.83 0.05 0.01 0.08 99.84 0.02 0.00 0.00 0.00 92 R H H 125.61 3.04 21.97 24.59 91.92 49.05 -64.93 -41.57 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 93 A H H 24.82 10.21 18.17 29.90 91.74 50.07 -64.42 -41.90 0.23 0.00 99.77 0.02 0.01 0.16 99.78 0.04 0.00 0.00 0.00 94 F H H 58.11 12.54 17.97 30.79 92.17 49.01 -65.12 -41.77 0.52 0.00 99.48 0.05 0.03 0.35 99.51 0.06 0.00 0.00 0.00 95 L H H 80.49 5.12 19.64 25.07 91.82 49.69 -64.51 -41.24 0.84 0.00 99.16 0.09 0.05 0.59 99.20 0.08 0.00 0.00 0.00 96 I H H 81.84 3.47 19.91 23.28 92.06 49.09 -65.00 -42.11 0.79 0.00 99.21 0.12 0.06 0.49 99.25 0.07 0.00 0.00 0.00 97 E H H 67.43 8.50 17.92 27.19 92.08 49.46 -65.03 -41.39 0.45 0.00 99.55 0.06 0.03 0.26 99.59 0.06 0.00 0.00 0.00 98 E H H 66.82 9.84 16.85 27.32 91.82 50.72 -64.65 -40.68 0.36 0.00 99.63 0.04 0.02 0.22 99.66 0.06 0.00 0.00 0.00 99 Q H H 96.39 3.65 18.80 22.58 91.75 50.83 -65.03 -40.10 0.35 0.00 99.65 0.04 0.02 0.21 99.67 0.06 0.00 0.00 0.00 100 K H H 109.36 3.20 19.04 22.17 92.09 50.39 -65.68 -40.55 0.52 0.00 99.48 0.07 0.02 0.33 99.51 0.07 0.00 0.00 0.00 101 I H H 58.31 8.21 16.84 25.96 92.36 49.40 -65.08 -42.33 0.32 0.00 99.68 0.06 0.02 0.18 99.71 0.04 0.00 0.00 0.00 102 V H H 62.67 6.35 17.11 24.18 91.93 49.66 -64.00 -42.41 0.18 0.00 99.82 0.03 0.01 0.09 99.85 0.02 0.00 0.00 0.00 103 V H H 75.76 2.78 18.23 20.87 91.53 49.45 -63.88 -42.05 0.13 0.00 99.87 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 104 K H H 106.79 3.49 18.00 21.74 91.88 49.66 -64.94 -41.08 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 105 V H H 61.09 6.86 15.85 23.48 92.12 49.20 -64.60 -42.21 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 106 L H H 86.05 3.45 16.99 20.73 91.81 49.63 -64.39 -41.32 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 107 K H H 120.88 1.86 17.49 18.70 91.93 49.82 -65.04 -40.86 0.36 0.00 99.64 0.04 0.02 0.20 99.70 0.04 0.00 0.00 0.00 108 A H H 45.48 4.03 15.12 20.43 91.79 50.40 -64.28 -40.53 0.59 0.00 99.41 0.08 0.04 0.33 99.47 0.07 0.00 0.00 0.00 109 Q H H 95.29 3.36 15.60 19.35 91.86 50.33 -64.68 -40.43 1.13 0.00 98.87 0.20 0.08 0.64 98.96 0.12 0.00 0.00 0.00 110 A H H 56.61 2.02 14.76 16.87 91.85 50.51 -64.30 -40.59 1.88 0.01 98.12 0.40 0.17 1.05 98.15 0.23 0.00 0.00 0.00 111 Q H H 104.28 1.72 14.13 15.76 92.27 50.43 -65.72 -39.53 2.99 0.02 96.99 0.68 0.30 1.71 96.86 0.42 0.00 0.00 0.00 112 S H H 59.23 2.85 11.50 15.52 92.52 50.99 -66.03 -38.55 6.49 0.04 93.48 1.62 0.71 3.75 93.09 0.80 0.00 0.01 0.01 113 Q H H 124.00 1.43 11.19 13.10 92.97 51.86 -67.11 -36.54 12.43 0.07 87.50 2.71 1.56 7.68 86.80 1.18 0.01 0.03 0.03 114 K H H 156.63 0.89 10.23 11.06 93.96 53.35 -69.94 -29.04 26.25 0.17 73.57 6.27 3.67 15.93 72.69 1.26 0.02 0.06 0.10 115 A C H 82.11 1.72 8.40 11.27 97.48 58.46 -77.25 -13.39 57.26 0.28 42.46 29.68 1.93 23.41 43.49 1.22 0.00 0.10 0.17 116 K C C 153.90 2.00 10.53 13.90 102.83 92.15 -77.56 33.64 99.88 0.03 0.10 99.51 0.14 0.25 0.07 0.01 0.00 0.01 0.01