# 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 107.77 6.86 12.76 20.77 115.80 -163.32 -100.70 131.27 99.67 0.33 0.01 99.68 0.08 0.02 0.00 0.00 0.00 0.19 0.02 1 V C C 103.68 3.96 10.67 16.47 115.20 -150.82 -97.58 126.24 87.04 12.67 0.28 86.29 1.49 0.48 0.13 0.10 0.00 7.53 4.00 2 I C C 99.54 5.94 8.13 15.90 116.61 -150.49 -97.71 128.46 92.27 7.64 0.09 74.84 17.79 0.28 0.04 0.05 0.00 4.95 2.06 3 P C C 93.30 2.87 10.90 15.41 115.99 -115.84 -70.43 149.45 99.23 0.61 0.17 96.48 2.56 0.33 0.04 0.08 0.00 0.36 0.15 4 P C C 96.51 3.90 9.50 15.36 113.25 -101.73 -66.65 149.07 86.76 0.96 12.28 68.52 6.04 9.82 1.44 13.22 0.00 0.56 0.40 5 A C C 79.92 3.48 9.24 14.60 110.61 -104.92 -73.89 140.18 83.25 2.12 14.63 50.16 13.64 17.22 1.60 15.36 0.00 1.15 0.88 6 V C C 112.80 2.88 9.05 13.71 112.63 -131.13 -89.59 127.09 79.18 5.22 15.60 46.59 18.29 13.38 2.32 14.40 0.01 2.68 2.33 7 R C C 154.27 3.43 8.81 14.30 118.70 -134.97 -100.16 139.46 96.74 2.16 1.10 53.96 42.16 0.94 0.57 0.42 0.00 0.81 1.16 8 P C C 88.24 3.74 9.69 15.39 115.15 -105.59 -67.32 150.02 94.67 0.63 4.70 86.03 6.40 2.59 2.74 1.62 0.00 0.30 0.32 9 P C C 99.26 3.39 9.59 14.81 110.47 -103.86 -67.01 145.26 78.16 1.62 20.22 61.52 7.67 8.96 9.91 10.28 0.00 0.87 0.79 10 R C C 165.27 2.89 9.42 14.05 109.81 -122.53 -85.02 125.01 67.21 6.85 25.94 46.79 10.62 9.52 13.24 13.06 0.02 3.99 2.76 11 L C C 110.31 4.30 9.23 15.18 108.93 -158.66 -89.41 90.00 59.84 9.30 30.86 39.24 11.58 9.14 16.22 14.91 0.05 5.79 3.07 12 F C C 123.54 5.70 9.36 16.63 111.32 92.41 -94.07 113.29 62.60 6.10 31.30 37.37 13.09 12.59 16.03 15.12 0.05 3.74 2.00 13 D C C 108.19 3.08 11.78 16.27 104.54 -141.76 -86.53 18.90 68.76 3.18 28.06 28.10 18.92 23.02 11.32 15.56 0.07 1.71 1.31 14 Y C C 133.74 5.96 11.28 18.70 111.97 85.00 -99.78 111.01 71.35 5.23 23.43 28.44 20.02 24.57 8.61 13.37 0.09 2.86 2.04 15 L C C 95.99 7.32 12.56 21.18 108.64 63.86 -89.72 81.04 78.00 10.10 11.89 50.18 17.09 11.09 4.34 7.38 0.03 5.76 4.12 16 K C C 97.31 9.11 15.86 25.86 120.82 158.47 -102.89 139.07 89.98 9.19 0.83 61.11 27.37 2.09 0.21 0.66 0.00 6.78 1.78 17 P C C 57.25 11.30 18.69 30.15 107.33 -105.51 -69.63 147.40 90.54 8.87 0.59 57.03 29.09 4.21 0.08 0.60 0.00 8.43 0.57 18 Y E E 38.53 19.19 17.93 36.36 121.62 -114.60 -106.58 136.57 42.92 56.54 0.55 34.59 5.79 1.54 0.08 0.47 0.00 56.90 0.62 19 V E E 24.20 15.69 23.75 39.56 124.57 -166.14 -121.37 137.25 6.02 93.96 0.02 5.61 0.30 0.02 0.00 0.01 0.00 93.82 0.24 20 L E E 7.43 24.47 20.89 45.37 118.54 -149.66 -104.12 129.13 1.52 98.48 0.00 1.41 0.04 0.00 0.00 0.00 0.00 98.52 0.02 21 K E E 48.30 13.43 27.16 40.63 118.62 -164.96 -114.39 125.60 0.53 99.47 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.49 0.00 22 M E E 9.46 24.48 19.94 44.37 119.54 -164.89 -112.95 127.40 0.41 99.59 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 23 H E E 53.56 11.13 26.78 38.35 121.68 -169.88 -119.31 129.85 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 24 F E E 46.58 19.72 18.35 37.11 119.56 -158.50 -108.26 128.01 3.21 96.78 0.01 2.84 0.19 0.01 0.00 0.00 0.00 96.85 0.10 25 T C C 35.32 8.73 20.05 29.83 132.23 170.27 -126.88 170.52 81.61 18.36 0.03 79.65 1.04 0.07 0.01 0.01 0.00 18.96 0.26 26 N C S 106.75 5.88 17.93 25.02 91.54 -90.80 -65.42 -24.74 99.61 0.28 0.11 2.77 82.73 14.17 0.01 0.09 0.00 0.19 0.04 27 K C S 112.03 6.29 18.36 25.29 104.06 29.08 -108.51 -18.26 99.47 0.42 0.11 1.87 83.48 14.21 0.01 0.08 0.00 0.31 0.05 28 F E E 51.57 12.01 21.04 33.57 142.82 12.87 -156.22 158.26 28.61 71.37 0.02 23.16 4.32 0.13 0.00 0.02 0.00 71.96 0.40 29 V E E 5.63 24.24 17.92 42.98 120.66 -133.96 -113.75 129.79 0.94 99.06 0.00 0.88 0.03 0.00 0.00 0.00 0.00 99.07 0.02 30 H E E 37.97 13.22 27.17 40.82 124.58 -170.67 -120.64 138.46 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 31 A E E 2.32 25.93 20.01 46.42 127.70 -170.64 -126.91 140.82 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 32 Q E E 34.74 14.87 28.22 43.20 125.54 -167.75 -122.56 137.03 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 33 V E E 3.65 24.63 22.35 47.33 118.44 -154.47 -108.03 127.18 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 34 I E E 20.36 15.54 23.38 39.59 121.67 -166.76 -114.60 132.81 0.92 99.08 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.06 0.06 35 H E E 45.24 14.91 18.58 33.75 115.55 -159.40 -102.14 130.48 21.59 78.37 0.04 17.81 2.66 0.21 0.01 0.03 0.00 78.91 0.37 36 S C T 40.74 9.61 17.23 27.55 120.15 -86.91 -85.36 163.45 86.71 11.91 1.38 9.94 26.68 50.19 0.09 1.40 0.00 10.70 0.99 37 P C T 98.88 4.52 15.47 20.98 95.53 -4.76 -71.20 -17.90 98.62 0.25 1.13 1.76 12.38 84.42 0.05 1.16 0.00 0.16 0.07 38 T C T 92.08 2.76 16.28 19.08 101.79 41.89 -98.32 -4.60 98.67 0.37 0.96 3.12 10.97 84.47 0.05 1.05 0.00 0.28 0.07 39 A C C 47.52 14.66 12.44 26.55 101.01 -126.13 57.99 40.55 90.47 8.48 1.04 51.82 20.08 18.47 0.14 1.06 0.00 7.47 0.96 40 T C C 68.56 5.89 20.88 27.57 119.27 151.33 -97.21 137.24 55.91 43.91 0.18 50.18 4.39 0.41 0.05 0.13 0.00 42.10 2.74 41 V E E 53.50 16.88 16.84 33.21 110.48 -120.43 -79.72 123.17 2.25 97.73 0.02 2.20 0.13 0.01 0.00 0.01 0.00 97.25 0.39 42 A E E 25.75 15.36 21.37 36.72 99.97 177.93 -92.27 -32.42 2.99 96.98 0.02 1.53 1.37 0.04 0.00 0.01 0.00 97.01 0.03 43 C E E 11.01 19.32 22.53 41.87 143.13 -0.34 -158.02 152.90 0.68 99.30 0.02 0.51 0.08 0.01 0.00 0.00 0.00 99.38 0.01 44 S E E 33.00 19.92 23.28 41.10 137.56 -172.78 -145.73 149.03 0.61 99.38 0.01 0.53 0.03 0.00 0.00 0.00 0.00 99.43 0.01 45 A E E 7.87 22.00 22.70 44.02 134.54 -173.59 -140.50 150.25 0.75 99.23 0.02 0.70 0.03 0.00 0.01 0.00 0.00 99.21 0.04 46 S E E 21.70 15.90 24.01 39.56 137.53 -175.16 -140.37 156.01 7.58 92.33 0.09 6.87 0.52 0.09 0.04 0.05 0.00 91.99 0.44 47 S C S 23.57 19.15 17.19 35.63 97.97 -134.04 -83.31 -14.89 70.91 21.06 8.03 23.72 25.25 23.36 1.45 5.87 0.03 19.04 1.28 48 Q C T 110.25 6.33 22.18 28.68 95.39 72.44 -85.28 -4.47 85.89 3.27 10.84 27.65 28.02 31.11 3.51 6.63 0.01 2.06 1.00 49 E C C 58.32 14.47 13.85 28.53 109.07 103.09 -76.66 118.12 72.88 1.58 25.54 45.81 19.95 7.59 18.06 7.07 0.00 0.66 0.86 50 K H H 138.21 3.44 17.60 22.18 94.01 -146.09 -62.98 -35.99 21.84 0.25 77.91 3.76 3.45 14.00 62.73 15.70 0.10 0.14 0.13 51 A H H 52.83 5.39 18.65 24.92 92.22 56.44 -65.72 -36.21 20.06 0.27 79.67 3.02 2.50 13.36 63.57 17.15 0.12 0.15 0.12 52 L H H 8.63 22.55 12.32 34.57 92.90 49.94 -70.41 -36.22 15.26 0.24 84.50 3.13 2.16 9.09 66.71 18.62 0.06 0.14 0.10 53 R H H 98.92 13.16 15.94 28.84 92.00 58.49 -62.30 -38.95 13.75 0.23 86.02 3.33 2.06 7.76 68.41 18.17 0.04 0.13 0.09 54 E H H 139.62 1.42 20.10 20.26 92.28 52.34 -69.73 -27.59 27.43 0.16 72.41 2.56 2.45 19.90 55.36 19.47 0.06 0.08 0.11 55 T H H 59.99 9.23 16.22 26.28 97.49 47.69 -89.06 -13.26 41.28 0.25 58.47 5.87 4.94 28.73 41.88 18.19 0.06 0.11 0.21 56 M C C 35.06 21.02 10.56 29.74 99.88 81.80 -72.94 -23.23 61.75 0.95 37.30 33.77 14.00 14.02 19.10 18.00 0.01 0.37 0.74 57 D C C 109.29 2.77 19.08 22.23 96.50 78.96 -73.54 -19.72 67.40 1.01 31.59 30.92 13.79 22.80 13.09 18.27 0.00 0.46 0.67 58 I C C 93.57 7.20 16.08 23.99 101.43 56.77 -93.45 -7.84 67.73 1.60 30.67 31.90 15.09 21.02 11.46 18.75 0.01 0.70 1.07 59 T C C 49.24 14.23 13.97 27.81 106.68 63.30 -97.41 15.63 82.93 1.56 15.52 52.47 14.49 15.99 7.98 7.32 0.00 0.69 1.05 60 R C C 143.68 7.87 18.38 26.94 99.10 -146.76 -77.92 16.54 88.37 1.61 10.02 43.96 30.13 14.76 5.21 4.26 0.00 0.63 1.05 61 D C C 65.72 8.42 19.98 29.05 113.90 117.32 -94.09 125.29 87.68 2.25 10.07 51.14 34.08 2.05 9.59 0.84 0.00 0.47 1.81 62 V H H 52.32 17.40 16.98 33.51 93.76 -150.91 -64.05 -34.97 3.96 0.01 96.03 0.98 0.71 2.01 95.81 0.47 0.00 0.00 0.01 63 A H H 58.22 5.02 25.67 30.94 91.54 54.99 -64.01 -40.79 1.62 0.01 98.38 0.35 0.15 0.96 98.13 0.42 0.00 0.00 0.00 64 A H H 10.19 15.72 22.09 38.56 91.28 50.37 -64.09 -41.75 0.33 0.00 99.67 0.07 0.02 0.18 99.47 0.26 0.00 0.00 0.00 65 A H H 1.45 26.47 20.88 47.53 91.17 51.63 -63.49 -42.51 0.14 0.00 99.86 0.02 0.01 0.08 99.78 0.11 0.00 0.00 0.00 66 S H H 25.07 15.73 26.57 41.78 91.60 51.41 -63.61 -42.14 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 67 K H H 83.97 7.22 30.50 39.46 91.27 49.99 -63.63 -42.22 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 68 I H H 2.12 25.80 26.02 51.44 91.47 49.53 -64.11 -43.86 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 69 G H H 0.55 27.46 24.49 52.08 91.16 51.65 -62.80 -42.75 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 70 K H H 82.59 10.99 29.35 41.04 91.50 50.59 -63.80 -41.88 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 71 I H H 35.32 11.54 28.91 41.94 91.42 49.46 -63.94 -43.09 0.10 0.00 99.90 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 72 L H H 1.29 26.96 25.61 52.42 91.50 49.01 -64.60 -43.58 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 73 G H H 1.72 24.70 22.93 47.34 91.03 51.95 -62.83 -43.26 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 74 E H H 88.95 5.43 28.64 34.87 91.38 50.13 -63.47 -41.91 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 75 R H H 60.45 11.78 24.74 36.70 91.78 49.43 -64.77 -41.68 0.13 0.00 99.87 0.00 0.00 0.10 99.85 0.04 0.00 0.00 0.00 76 L H H 1.92 26.40 16.22 43.45 91.15 50.53 -64.03 -42.79 0.49 0.00 99.51 0.03 0.02 0.39 99.19 0.37 0.00 0.00 0.00 77 L H H 66.99 13.51 19.38 32.37 91.52 50.65 -63.66 -40.36 1.61 0.00 98.39 0.04 0.04 1.56 97.40 0.96 0.00 0.00 0.00 78 M H H 129.39 2.18 21.07 23.02 90.68 53.11 -66.58 -29.53 8.59 0.00 91.40 0.10 0.18 8.95 90.00 0.76 0.01 0.00 0.00 79 K C T 83.23 11.08 15.65 27.43 95.67 51.60 -90.30 3.70 86.86 0.02 13.11 0.35 1.57 84.49 12.89 0.66 0.00 0.01 0.03 80 D C T 110.42 3.03 22.13 25.64 94.76 -116.94 61.06 39.23 99.83 0.01 0.16 1.34 0.94 97.64 0.05 0.03 0.00 0.00 0.00 81 I C C 8.73 24.84 12.11 37.15 111.13 169.45 -85.36 117.90 98.39 1.57 0.04 98.26 0.50 0.05 0.01 0.01 0.00 0.97 0.21 82 P C C 56.88 9.04 24.90 34.92 96.50 -168.33 -79.20 -24.37 96.84 3.00 0.16 77.73 18.40 0.63 0.02 0.17 0.00 2.89 0.17 83 A E E 20.38 14.44 25.86 40.51 140.32 12.17 -151.31 153.06 16.05 83.27 0.68 12.64 3.21 0.69 0.12 0.44 0.00 82.34 0.56 84 V E E 3.31 26.79 19.54 46.94 125.87 -162.86 -128.39 135.54 2.68 97.15 0.17 2.41 0.19 0.05 0.06 0.06 0.00 97.03 0.21 85 T E E 25.15 15.03 27.45 42.47 123.20 -164.86 -116.88 134.06 3.09 96.83 0.08 2.85 0.13 0.02 0.03 0.02 0.00 96.84 0.10 86 I E E 11.91 23.60 19.40 42.78 120.96 -164.84 -116.17 129.41 15.50 84.28 0.22 13.89 1.00 0.19 0.08 0.09 0.00 84.37 0.36 87 Q E E 64.44 10.46 23.89 34.56 113.82 -158.24 -105.14 121.20 41.70 57.80 0.50 36.74 3.49 0.72 0.14 0.29 0.00 57.99 0.62 88 M C C 47.36 17.17 14.57 31.50 115.71 -156.59 -93.88 134.13 68.48 28.99 2.53 56.85 8.02 2.67 0.83 1.59 0.00 28.59 1.46 89 K C C 92.18 8.44 14.27 23.87 115.02 -141.48 -87.43 138.60 83.54 10.23 6.23 66.99 10.37 5.77 1.91 4.53 0.00 8.09 2.34 90 K C T 147.34 3.16 12.62 17.25 98.21 -113.55 -70.07 -27.08 79.90 2.49 17.61 17.23 20.25 43.29 3.56 13.15 0.02 1.49 1.02 91 E C T 154.28 1.30 13.40 14.53 98.19 40.37 -84.45 3.91 79.79 1.65 18.56 17.00 18.57 44.92 3.70 14.10 0.01 0.95 0.76 92 Q C C 76.29 10.99 9.19 20.73 119.15 99.68 -96.52 138.28 79.84 4.74 15.42 50.19 21.28 8.76 4.18 11.04 0.00 2.65 1.90 93 R C C 158.51 2.87 16.50 20.37 115.51 -142.56 -93.94 130.94 85.85 7.30 6.86 74.38 6.98 4.42 3.59 3.16 0.00 4.89 2.60 94 Y C C 89.42 15.75 10.07 25.07 116.80 -135.00 -93.82 131.07 85.41 9.40 5.20 75.61 6.48 2.83 3.65 1.77 0.00 5.02 4.63 95 H C C 102.95 4.72 15.77 22.00 129.76 173.20 -133.71 158.24 90.22 2.98 6.79 79.64 7.26 2.63 6.84 0.95 0.00 1.43 1.26 96 G H H 48.33 2.35 18.32 20.78 111.76 -23.79 64.04 -134.64 23.42 0.26 76.31 7.33 8.97 7.89 74.28 1.28 0.03 0.08 0.14 97 K H H 88.58 11.85 17.48 29.47 93.21 -2.80 -68.50 -30.66 6.72 0.08 93.20 1.92 1.12 3.72 92.08 1.08 0.01 0.04 0.03 98 V H H 11.64 22.91 15.67 38.05 91.81 56.83 -64.17 -40.43 2.07 0.04 97.89 0.72 0.26 1.03 97.19 0.76 0.00 0.03 0.01 99 K H H 94.93 8.93 22.59 31.81 91.57 54.45 -62.49 -40.76 0.63 0.01 99.36 0.20 0.06 0.29 99.10 0.34 0.00 0.00 0.00 100 A H H 35.84 7.26 23.88 31.92 91.63 51.17 -63.90 -42.18 0.54 0.01 99.46 0.11 0.04 0.33 99.28 0.24 0.00 0.00 0.00 101 V H H 5.98 23.72 21.30 44.52 92.03 48.68 -64.59 -43.54 0.71 0.01 99.28 0.09 0.05 0.52 99.14 0.18 0.00 0.00 0.00 102 I H H 16.13 20.90 21.69 41.79 91.50 49.67 -62.85 -43.26 0.78 0.00 99.22 0.13 0.07 0.48 99.23 0.10 0.00 0.00 0.00 103 D H H 70.30 4.19 26.60 30.87 91.40 50.36 -63.84 -41.17 0.86 0.01 99.13 0.22 0.07 0.42 99.18 0.10 0.00 0.00 0.00 104 S H H 17.97 12.50 21.52 35.09 91.80 50.99 -63.98 -42.58 0.53 0.00 99.47 0.10 0.04 0.30 99.44 0.12 0.00 0.00 0.00 105 V H H 3.47 25.72 16.09 42.31 91.77 49.77 -63.99 -42.93 0.55 0.01 99.44 0.10 0.04 0.34 99.27 0.24 0.00 0.00 0.00 106 R H H 119.50 9.94 20.05 30.31 91.72 51.15 -62.58 -40.77 0.99 0.01 99.00 0.12 0.07 0.72 98.63 0.45 0.00 0.00 0.00 107 E H H 139.60 1.84 21.58 22.95 90.48 53.48 -65.08 -28.86 7.18 0.01 92.81 0.20 0.25 6.76 92.27 0.50 0.01 0.00 0.01 108 A C T 32.49 14.09 15.04 29.78 93.35 54.05 -85.85 -3.34 76.19 0.04 23.78 0.33 0.85 73.95 24.18 0.65 0.00 0.01 0.03 109 G C T 41.69 4.44 22.62 27.64 97.90 -100.26 90.20 10.02 99.76 0.04 0.21 1.49 1.01 97.36 0.08 0.03 0.00 0.02 0.00 110 V C C 10.30 24.39 10.35 34.46 116.22 144.70 -86.98 133.95 89.76 10.22 0.02 89.05 0.66 0.07 0.00 0.01 0.00 10.01 0.21 111 K E E 122.42 3.81 23.96 28.23 117.05 -148.77 -102.15 129.25 14.51 85.46 0.04 14.18 0.38 0.06 0.01 0.02 0.00 84.17 1.18 112 L E E 54.21 19.28 13.17 31.40 114.99 -142.85 -89.26 127.58 11.15 88.83 0.02 11.36 0.10 0.03 0.01 0.01 0.00 84.71 3.77 113 L C C 70.79 11.24 17.89 29.26 107.67 -158.24 -92.44 108.80 98.25 1.75 0.00 98.44 0.06 0.01 0.00 0.00 0.00 1.48 0.02