# 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 R C C 150.03 4.44 14.21 20.28 115.83 -156.99 -94.48 133.84 99.92 0.08 0.01 99.87 0.07 0.02 0.00 0.00 0.00 0.04 0.01 1 R C C 150.12 4.89 12.08 19.03 115.10 -142.00 -91.76 131.89 91.87 6.91 1.22 91.12 0.84 0.93 0.47 0.39 0.00 3.95 2.29 2 V C C 71.53 9.64 10.18 20.99 118.88 -151.81 -99.75 134.00 89.08 8.96 1.96 79.89 6.96 2.22 0.65 1.21 0.00 6.66 2.40 3 K C C 128.56 5.35 13.28 20.35 114.88 -144.66 -92.98 130.41 89.52 7.61 2.86 77.79 8.30 3.44 0.77 2.06 0.00 5.91 1.74 4 K C C 116.63 7.22 13.53 22.16 117.89 -158.53 -103.06 139.70 89.82 6.53 3.65 64.35 18.04 7.52 0.80 2.98 0.00 4.94 1.37 5 N C C 106.11 4.79 17.64 23.38 104.09 -15.58 -77.34 64.09 90.71 6.48 2.81 66.38 16.53 7.71 0.59 2.44 0.00 4.99 1.36 6 I C C 28.78 20.35 10.25 29.54 116.92 162.36 -98.25 129.38 85.75 11.40 2.85 76.43 6.51 2.67 0.75 2.19 0.00 8.71 2.74 7 E C C 125.82 3.68 21.70 25.88 97.81 -161.96 -84.28 -26.28 87.39 10.49 2.13 50.79 28.01 8.97 0.40 1.86 0.00 8.74 1.24 8 S C C 44.02 9.19 22.05 31.52 138.27 9.69 -147.77 153.82 74.50 23.73 1.76 32.41 31.87 10.81 0.20 1.59 0.00 22.06 1.05 9 G E E 8.90 18.50 20.24 37.90 140.88 142.73 -155.89 -173.11 44.82 54.82 0.37 34.64 8.43 1.17 0.05 0.32 0.00 54.83 0.57 10 I E E 37.91 13.84 26.16 40.43 126.36 -104.49 -123.77 138.35 4.29 95.69 0.03 4.00 0.24 0.02 0.01 0.01 0.00 95.49 0.22 11 A E E 2.36 26.14 20.82 47.27 123.14 -162.56 -114.99 134.76 1.23 98.77 0.00 1.13 0.05 0.00 0.00 0.00 0.00 98.79 0.02 12 H E E 39.19 14.25 28.30 42.81 119.38 -164.64 -115.35 128.09 0.64 99.36 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.01 13 I E E 6.72 25.39 20.32 45.83 120.76 -165.53 -115.73 127.89 0.84 99.16 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.17 0.02 14 R E E 79.84 10.42 27.04 37.81 125.78 -173.02 -122.92 136.29 2.69 97.31 0.01 2.37 0.14 0.01 0.00 0.00 0.00 97.36 0.11 15 S E E 27.94 20.31 16.23 35.15 126.32 -163.78 -118.68 141.79 23.86 76.09 0.05 20.20 2.59 0.20 0.01 0.04 0.00 76.68 0.29 16 T C C 54.86 7.68 20.60 28.68 129.65 169.76 -125.88 164.76 69.46 30.30 0.24 54.60 12.42 1.24 0.04 0.22 0.00 30.50 0.99 17 F C S 133.71 6.18 17.66 24.71 98.12 -79.07 -58.80 -44.24 96.13 2.59 1.28 7.82 54.39 34.37 0.08 1.12 0.00 1.84 0.38 18 N C S 93.12 7.62 18.05 26.21 100.27 10.62 -101.62 0.07 97.71 1.12 1.17 6.24 51.89 39.66 0.06 1.15 0.00 0.80 0.20 19 N C E 43.67 12.25 19.74 32.44 136.19 44.18 -138.51 156.25 57.93 41.39 0.68 30.61 20.35 7.38 0.06 0.72 0.00 40.16 0.72 20 T E E 7.25 22.82 18.11 41.34 122.11 -147.33 -115.45 132.73 9.19 90.80 0.01 8.30 0.36 0.02 0.00 0.00 0.00 91.19 0.12 21 I E E 25.88 13.94 27.25 41.99 119.12 -160.90 -113.28 127.20 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.01 22 V E E 2.03 26.38 22.03 49.00 120.22 -165.73 -114.42 129.55 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 23 T E E 17.12 15.99 28.71 45.05 123.58 -167.65 -117.69 135.64 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 24 I E E 1.98 26.36 22.90 49.86 120.15 -162.39 -113.49 129.50 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 25 T E E 16.25 14.62 24.94 40.04 132.98 -177.36 -127.38 155.73 0.32 99.68 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.61 0.07 26 D C C 22.38 15.08 20.33 35.64 124.12 -121.45 -81.19 173.85 69.65 30.32 0.04 69.37 0.56 0.08 0.01 0.02 0.00 29.23 0.74 27 T C T 62.70 14.41 16.74 31.11 90.87 -92.32 -65.32 -19.80 99.31 0.17 0.51 0.28 3.10 96.03 0.01 0.45 0.00 0.11 0.03 28 H C T 133.15 2.60 19.62 22.11 93.22 56.50 -89.40 0.70 99.32 0.08 0.60 0.27 3.13 96.00 0.02 0.52 0.00 0.04 0.02 29 G C S 28.00 13.31 14.04 27.44 97.02 -104.27 87.01 6.44 99.20 0.44 0.36 26.36 71.60 1.32 0.04 0.29 0.00 0.20 0.19 30 N C C 87.75 3.84 20.95 25.57 116.22 142.60 -81.70 138.61 97.95 1.96 0.08 94.79 3.12 0.27 0.02 0.04 0.00 1.03 0.72 31 A E E 45.78 16.36 15.00 30.79 110.21 -114.95 -73.50 126.59 2.54 97.45 0.01 2.48 0.14 0.01 0.01 0.01 0.00 95.99 1.37 32 I E E 53.73 12.99 19.68 33.13 101.82 174.06 -100.48 -30.03 2.03 97.96 0.01 1.29 0.57 0.03 0.00 0.00 0.00 98.09 0.02 33 S E E 22.16 13.70 22.46 36.86 143.47 -1.75 -159.71 154.67 0.55 99.45 0.00 0.42 0.05 0.00 0.00 0.00 0.00 99.52 0.00 34 W E E 89.17 20.21 19.55 37.77 134.84 -169.08 -144.16 144.93 0.59 99.41 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.01 35 S E E 22.68 15.69 24.42 39.87 137.74 164.35 -144.87 152.45 2.03 97.97 0.01 1.84 0.09 0.01 0.00 0.00 0.00 98.00 0.06 36 S E E 34.77 16.16 23.85 38.93 126.93 -144.97 -115.05 146.73 12.68 87.21 0.10 11.21 1.27 0.15 0.03 0.07 0.00 86.70 0.56 37 A C C 10.28 23.18 18.21 40.95 97.23 -149.06 -81.88 -16.13 60.54 9.52 29.94 42.77 9.14 9.74 7.89 21.15 0.02 8.03 1.26 38 G H G 27.08 13.73 21.11 33.93 96.69 91.60 -49.42 -39.76 41.20 2.22 56.58 13.52 9.04 20.07 11.21 44.08 0.03 1.34 0.71 39 A H G 67.43 7.01 22.64 29.65 93.26 51.52 -76.62 -14.55 39.12 1.61 59.27 9.26 8.06 22.40 12.56 46.13 0.04 0.94 0.61 40 L C G 50.89 15.88 16.59 31.87 97.95 63.54 -84.06 -4.96 48.53 3.53 47.94 13.52 13.28 23.41 12.14 33.85 0.20 1.85 1.75 41 G C C 31.19 9.13 19.97 29.49 117.45 -106.49 96.93 24.29 82.80 5.60 11.60 38.06 21.12 24.25 3.71 7.24 0.02 2.49 3.09 42 F C C 70.44 15.27 12.96 27.85 113.95 -72.54 -91.80 127.83 82.12 11.99 5.90 55.95 17.49 7.53 2.64 3.25 0.01 4.83 8.29 43 R C T 168.43 3.35 15.09 20.18 109.87 -120.13 -68.24 131.26 88.58 5.34 6.08 15.82 16.07 56.76 1.72 4.19 0.02 3.03 2.39 44 G C T 63.91 1.00 15.02 15.35 96.98 12.28 80.81 -0.75 92.54 1.46 6.01 11.67 20.89 59.94 1.14 4.82 0.00 0.76 0.78 45 S C C 49.46 10.06 9.68 20.50 120.08 114.42 -99.42 153.72 86.64 3.15 10.21 41.93 29.31 15.21 2.19 7.94 0.00 1.26 2.17 46 R C S 180.54 2.20 15.91 18.95 97.06 -134.66 -81.22 -10.46 83.49 3.55 12.95 26.47 36.42 21.30 2.37 9.75 0.01 1.70 1.98 47 K C C 115.07 5.71 18.53 25.28 120.98 76.25 -99.82 142.19 81.46 5.80 12.75 34.11 29.54 18.32 2.62 9.60 0.03 2.66 3.12 48 S C C 31.88 19.75 14.19 32.65 113.45 -124.98 -82.88 129.97 87.40 4.61 8.00 65.46 13.62 7.39 2.86 5.18 0.00 1.78 3.70 49 T C C 44.96 10.35 23.48 33.94 128.40 -169.90 -114.16 153.66 92.06 0.82 7.12 71.67 18.41 0.73 8.00 0.27 0.00 0.17 0.75 50 P H H 53.44 15.74 20.11 35.07 92.68 -109.25 -60.50 -35.69 7.46 0.03 92.51 1.02 1.01 5.01 92.38 0.54 0.01 0.01 0.01 51 F H H 96.07 7.06 26.76 34.41 91.82 53.94 -64.39 -40.61 2.86 0.01 97.12 0.38 0.26 1.93 97.08 0.33 0.00 0.00 0.00 52 A H H 5.89 20.73 22.70 43.33 91.39 51.02 -64.28 -42.73 0.35 0.00 99.65 0.10 0.02 0.15 99.60 0.13 0.00 0.00 0.00 53 A H H 2.04 26.16 22.72 48.66 91.35 50.59 -63.74 -42.45 0.09 0.00 99.91 0.01 0.00 0.04 99.89 0.04 0.00 0.00 0.00 54 Q H H 62.77 13.12 28.71 41.92 91.63 50.30 -64.27 -42.04 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 55 M H H 55.49 9.90 29.98 41.52 91.52 49.97 -64.20 -42.24 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 56 A H H 1.60 25.89 25.64 51.14 91.54 49.91 -63.86 -43.09 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 57 A H H 2.31 25.97 25.44 50.89 91.56 50.81 -63.44 -42.80 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 58 E H H 82.27 8.63 30.11 40.18 91.27 50.34 -63.74 -42.41 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 59 T H H 34.23 11.67 28.99 41.84 91.73 49.20 -64.54 -42.14 0.21 0.00 99.78 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 60 A H H 0.96 27.33 24.61 51.86 91.71 50.24 -64.00 -43.18 0.32 0.00 99.68 0.03 0.02 0.22 99.67 0.05 0.00 0.00 0.00 61 A H H 8.26 22.00 24.53 45.56 91.57 50.76 -62.98 -43.16 0.34 0.00 99.66 0.03 0.01 0.22 99.67 0.06 0.00 0.00 0.00 62 K H H 106.99 3.86 29.29 33.69 91.38 50.02 -63.64 -41.73 0.33 0.00 99.67 0.03 0.02 0.22 99.66 0.08 0.00 0.00 0.00 63 G H H 9.07 13.94 23.38 37.99 91.62 50.21 -63.82 -42.37 0.46 0.00 99.54 0.05 0.03 0.32 99.46 0.14 0.00 0.00 0.00 64 S H H 2.27 25.71 16.85 42.89 91.84 50.83 -63.83 -42.87 0.75 0.00 99.25 0.10 0.05 0.53 98.93 0.39 0.00 0.00 0.00 65 I H H 75.70 12.00 20.26 31.95 91.74 49.38 -64.30 -40.68 1.20 0.00 98.79 0.11 0.06 0.94 98.05 0.83 0.00 0.00 0.00 66 E H H 139.09 1.89 21.96 23.37 90.65 53.04 -66.18 -29.18 6.68 0.00 93.31 0.15 0.20 6.46 92.53 0.66 0.00 0.00 0.00 67 H C T 76.59 12.32 15.74 28.51 93.82 50.24 -88.23 0.06 76.50 0.02 23.48 0.39 1.09 74.61 23.07 0.81 0.00 0.01 0.02 68 G C T 44.93 3.99 22.98 27.27 98.54 -102.29 88.92 11.91 99.74 0.01 0.25 1.88 0.97 97.00 0.10 0.04 0.00 0.00 0.00 69 L C C 14.48 23.73 10.77 34.01 114.13 157.28 -75.78 132.30 94.90 5.01 0.10 94.98 0.48 0.10 0.02 0.04 0.00 4.00 0.39 70 K C C 123.83 4.91 23.82 29.75 100.74 174.01 -104.10 -17.96 91.32 8.64 0.04 67.66 22.74 0.47 0.00 0.05 0.00 8.85 0.23 71 T E E 40.62 10.89 24.75 36.48 134.23 33.27 -139.78 145.60 23.68 76.23 0.09 18.60 4.21 0.41 0.01 0.08 0.00 76.34 0.34 72 L E E 3.12 27.01 17.17 45.22 125.79 -166.81 -127.53 135.67 1.61 98.38 0.00 1.51 0.07 0.00 0.00 0.00 0.00 98.35 0.06 73 E E E 58.04 10.64 28.30 39.88 117.96 -157.93 -110.51 127.03 0.37 99.63 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 74 V E E 3.00 26.47 19.01 46.26 120.58 -165.24 -115.24 128.63 0.27 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 75 T E E 34.92 10.92 27.89 39.78 117.66 -164.17 -112.92 124.49 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 76 V E E 6.16 25.10 17.05 42.61 121.93 -169.23 -115.78 130.49 3.09 96.91 0.00 3.06 0.07 0.00 0.00 0.00 0.00 96.73 0.13 77 K E E 95.52 8.14 24.71 33.07 118.30 -169.01 -112.72 126.08 39.00 60.96 0.04 31.10 6.72 0.30 0.01 0.04 0.00 61.36 0.48 78 G C C 20.96 10.07 20.52 31.36 140.81 65.01 149.07 -176.03 86.39 13.52 0.09 44.98 40.27 1.41 0.01 0.09 0.00 12.55 0.69 79 P C C 80.28 7.26 19.27 27.05 114.98 -54.52 -74.26 146.47 96.10 3.50 0.40 52.61 39.90 3.95 0.09 0.34 0.00 2.41 0.71 80 G C S 32.12 6.56 18.86 26.51 135.73 73.03 133.26 -171.78 91.83 1.41 6.76 22.25 62.09 7.72 4.43 1.84 0.00 0.45 1.21 81 S C T 83.03 3.46 20.72 24.49 100.43 -45.51 -68.43 -1.86 73.85 0.39 25.76 3.83 15.74 54.36 19.34 6.09 0.06 0.16 0.41 82 G C T 15.51 17.06 16.71 33.21 95.43 40.58 -70.06 -4.33 70.97 0.28 28.75 11.79 7.82 50.48 25.05 4.51 0.01 0.11 0.23 83 R H H 51.88 20.53 16.93 36.25 92.84 98.28 -61.25 -42.34 5.04 0.02 94.94 2.28 0.77 1.88 93.79 1.27 0.00 0.01 0.01 84 E H H 111.65 5.01 25.02 30.80 91.56 50.81 -63.47 -41.31 1.00 0.00 98.99 0.25 0.10 0.50 98.80 0.35 0.00 0.00 0.00 85 A H H 35.43 7.36 24.78 32.95 91.65 50.16 -64.62 -41.79 0.33 0.00 99.67 0.07 0.02 0.17 99.55 0.19 0.00 0.00 0.00 86 A H H 2.46 25.36 19.77 45.15 91.86 50.27 -64.17 -43.11 0.26 0.00 99.74 0.05 0.01 0.12 99.74 0.08 0.00 0.00 0.00 87 I H H 20.55 20.78 22.54 42.20 91.62 49.97 -63.60 -42.73 0.15 0.00 99.85 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 88 R H H 132.22 2.90 27.31 29.91 91.44 50.60 -63.22 -42.47 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 89 A H H 19.66 12.85 21.64 35.35 91.71 50.29 -64.08 -42.37 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.02 0.00 0.00 0.00 90 L H H 3.24 26.19 15.55 42.20 91.62 49.99 -64.28 -42.49 0.16 0.00 99.84 0.01 0.01 0.12 99.80 0.06 0.00 0.00 0.00 91 Q H H 98.86 8.89 19.51 29.10 91.30 50.83 -62.62 -40.30 0.51 0.00 99.49 0.02 0.02 0.44 99.31 0.21 0.00 0.00 0.00 92 A H H 82.81 2.07 19.77 21.76 89.95 55.48 -65.33 -25.90 7.68 0.00 92.31 0.10 0.14 7.88 91.53 0.33 0.00 0.00 0.00 93 A C T 37.46 13.19 14.29 28.23 92.70 54.20 -87.12 -0.96 84.43 0.02 15.55 0.22 0.87 82.77 15.67 0.45 0.00 0.00 0.02 94 G C T 52.66 2.14 21.96 23.60 96.32 -103.84 87.22 11.36 99.88 0.01 0.11 0.85 0.91 98.19 0.03 0.01 0.00 0.00 0.00 95 L C C 15.18 23.41 10.15 32.99 118.38 140.30 -91.22 137.99 94.92 5.07 0.01 94.06 0.89 0.04 0.00 0.00 0.00 4.86 0.14 96 E E E 117.00 3.29 25.37 28.66 111.87 -133.03 -91.04 123.39 34.32 65.64 0.04 33.66 0.64 0.06 0.01 0.02 0.00 64.95 0.65 97 V E E 22.74 23.80 11.70 34.84 113.38 -151.93 -91.43 122.36 4.64 95.35 0.01 4.93 0.07 0.00 0.00 0.00 0.00 94.72 0.28 98 T E E 70.88 5.58 22.55 28.73 100.18 175.92 -97.10 -30.38 6.01 93.98 0.01 4.16 1.42 0.04 0.00 0.00 0.00 94.35 0.03 99 A E E 37.49 8.57 23.85 33.30 141.36 0.37 -156.51 151.96 0.92 99.07 0.00 0.73 0.07 0.00 0.00 0.00 0.00 99.19 0.01 100 I E E 34.97 22.91 14.84 36.79 123.63 -163.64 -128.25 127.56 0.35 99.65 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 101 R E E 102.66 7.17 24.52 32.28 127.94 -176.33 -128.71 140.08 0.70 99.30 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.29 0.03 102 D E E 57.37 16.31 15.87 31.47 112.89 -131.54 -86.88 123.38 9.01 90.98 0.01 8.36 0.38 0.02 0.00 0.01 0.00 91.01 0.23 103 V C C 64.31 10.80 16.95 28.47 103.22 -177.19 -100.99 3.05 86.61 13.35 0.04 65.25 20.37 0.41 0.01 0.04 0.00 13.38 0.54 104 T C S 63.09 7.93 16.24 25.37 117.42 105.54 -95.31 135.21 93.03 6.92 0.05 43.90 49.59 0.50 0.01 0.04 0.00 5.18 0.78 105 P C C 86.30 6.51 16.15 23.93 112.28 -107.75 -69.21 142.65 95.87 4.07 0.05 74.77 20.84 0.55 0.01 0.05 0.00 2.98 0.80 106 V C C 61.94 11.81 12.14 24.73 118.60 -118.85 -101.50 131.95 93.42 6.45 0.12 75.08 18.25 0.38 0.05 0.08 0.00 3.38 2.78 107 P C C 78.83 5.76 15.27 22.45 113.67 -109.18 -66.96 145.23 92.23 6.06 1.71 81.21 6.96 3.79 0.34 1.54 0.00 3.85 2.31 108 H C C 105.90 9.64 11.14 21.63 116.08 -150.01 -105.74 134.47 86.27 7.48 6.26 52.99 17.85 14.55 1.06 5.73 0.00 3.30 4.52 109 N C T 118.19 3.42 14.64 18.93 101.13 -5.78 -1.63 41.36 86.86 3.75 9.39 29.80 25.17 31.66 1.03 8.78 0.00 1.85 1.71 110 G C C 46.55 5.30 13.16 19.80 103.99 -71.26 83.46 1.73 89.04 3.64 7.32 33.14 28.49 27.08 0.82 7.06 0.00 1.84 1.58 111 C C C 62.21 9.95 10.61 21.47 111.50 123.58 -89.62 125.53 88.90 7.49 3.62 57.56 22.08 8.58 0.75 3.20 0.00 3.43 4.40 112 R C C 141.88 4.51 13.61 19.88 119.92 -149.74 -103.99 137.39 95.27 4.50 0.23 69.86 25.26 0.49 0.08 0.13 0.00 1.81 2.36 113 P C C 74.08 7.13 11.15 19.95 115.99 -105.58 -66.03 150.72 98.81 0.68 0.51 93.37 4.47 1.07 0.13 0.31 0.00 0.34 0.31 114 P C C 89.92 5.10 10.19 17.06 110.82 -102.03 -66.55 147.97 92.75 0.91 6.34 67.60 9.93 14.41 1.02 6.05 0.00 0.46 0.52 115 K C C 156.32 2.05 9.25 13.03 110.72 -106.28 -81.36 132.39 90.26 2.29 7.45 57.37 16.64 15.37 1.16 7.12 0.00 1.16 1.18 116 R C C 172.30 2.36 8.19 12.51 112.07 -130.60 -87.47 129.35 93.20 2.26 4.54 86.31 2.79 4.64 1.00 3.02 0.00 1.21 1.03 117 R C C 170.07 2.81 10.18 14.82 109.95 -137.31 -85.78 120.44 99.85 0.10 0.05 99.62 0.16 0.12 0.02 0.01 0.00 0.04 0.02