# 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 D C C 88.68 7.15 17.04 25.00 111.59 -140.77 -88.51 118.70 99.92 0.08 0.00 99.80 0.12 0.03 0.00 0.00 0.00 0.05 0.00 1 R C C 109.66 10.22 16.74 27.22 115.62 -149.99 -99.57 131.47 81.19 18.73 0.08 78.18 1.63 0.45 0.01 0.05 0.00 18.97 0.70 2 F E E 47.37 15.95 17.20 33.19 123.69 -160.46 -110.53 142.86 28.33 71.64 0.03 24.67 2.34 0.13 0.00 0.03 0.00 72.45 0.37 3 I E E 18.35 18.79 22.20 40.99 121.67 -155.61 -114.74 131.60 1.44 98.55 0.00 1.41 0.04 0.00 0.00 0.00 0.00 98.49 0.06 4 C E E 8.34 21.75 25.86 46.82 118.65 -157.37 -107.12 129.30 0.44 99.56 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.02 5 I E E 2.52 25.74 26.48 51.84 117.47 -163.40 -112.31 124.86 1.30 98.70 0.00 1.31 0.02 0.00 0.00 0.00 0.00 98.49 0.18 6 Y C C 10.84 23.08 27.84 49.63 113.59 -153.99 -94.77 125.12 82.23 17.77 0.00 83.10 0.23 0.00 0.00 0.00 0.00 16.48 0.19 7 P H G 6.95 24.26 24.71 49.19 91.91 -132.81 -60.90 -33.11 8.35 0.07 91.59 0.67 0.76 6.64 12.88 79.00 0.00 0.06 0.01 8 A H G 10.16 20.46 25.24 45.79 90.48 63.89 -66.36 -23.49 3.68 0.02 96.30 0.15 0.22 3.39 13.67 82.54 0.00 0.02 0.00 9 Y H G 11.66 23.37 24.88 47.77 92.42 61.04 -73.55 -21.23 3.88 0.02 96.10 0.21 0.27 3.28 12.69 83.54 0.00 0.01 0.00 10 L H G 5.69 24.09 23.14 47.40 98.07 46.88 -97.93 -3.59 30.10 2.74 67.15 3.18 5.49 22.43 15.75 49.61 0.42 1.26 1.87 11 N E B 16.91 19.01 19.99 39.26 115.08 95.94 -99.61 120.79 41.54 57.59 0.87 29.38 7.28 0.69 0.57 0.29 0.00 9.21 52.58 12 N C T 74.21 12.74 17.99 31.19 93.22 -156.63 -75.23 -17.11 95.55 3.65 0.79 5.01 36.35 54.55 0.09 0.67 0.00 2.67 0.66 13 K C T 148.96 2.01 20.71 22.33 95.38 60.43 -90.61 -6.46 98.49 1.08 0.43 5.65 45.78 47.19 0.04 0.40 0.00 0.70 0.24 14 K C C 56.58 15.54 11.19 26.68 119.61 93.62 -89.11 142.46 98.34 1.22 0.44 64.05 33.31 0.96 0.16 0.22 0.00 0.43 0.87 15 T C C 59.71 4.88 19.50 24.77 123.15 -134.96 -90.75 163.33 85.91 13.68 0.41 78.13 4.70 0.28 0.25 0.10 0.00 1.39 15.15 16 I C G 84.47 13.63 12.34 25.93 91.72 -109.06 -59.27 -36.12 49.91 1.14 48.95 3.45 8.62 37.78 6.33 42.18 0.09 0.60 0.95 17 A C G 79.67 3.10 17.08 21.15 91.35 58.45 -66.27 -28.14 50.11 0.43 49.46 2.01 5.13 42.55 6.09 43.65 0.04 0.23 0.32 18 E C T 103.93 6.12 17.13 24.07 95.47 47.77 -87.86 -3.72 52.68 0.39 46.93 1.93 5.17 45.78 5.39 41.17 0.02 0.20 0.33 19 G C T 22.04 12.48 17.67 30.44 101.52 -95.67 93.88 6.11 94.90 0.87 4.22 17.13 8.91 69.28 1.56 2.14 0.00 0.44 0.53 20 R C C 39.97 19.08 15.78 34.68 113.70 148.90 -74.31 135.10 92.55 6.44 1.01 80.06 9.39 2.41 0.36 0.68 0.00 3.18 3.93 21 R C C 106.55 11.04 24.54 35.28 99.48 -168.76 -98.56 3.22 82.69 17.00 0.32 69.28 11.47 1.23 0.12 0.24 0.00 9.12 8.55 22 I C C 11.54 23.20 14.72 37.93 120.02 98.77 -96.09 135.50 75.43 24.51 0.06 54.20 22.52 0.17 0.03 0.03 0.00 15.51 7.54 23 P C C 54.49 5.58 23.43 29.59 113.58 -106.42 -64.47 143.74 79.64 20.31 0.04 81.26 0.57 0.04 0.02 0.02 0.00 14.34 3.76 24 I H G 71.33 17.26 12.91 29.43 91.46 -121.62 -58.21 -34.98 34.29 0.55 65.16 1.21 2.49 28.61 0.71 66.50 0.00 0.37 0.10 25 S H G 90.16 1.56 20.97 22.05 89.76 62.20 -67.79 -20.18 34.06 0.27 65.67 0.39 1.57 30.53 0.47 66.81 0.00 0.17 0.06 26 K H G 87.91 10.91 19.10 30.44 96.41 50.25 -99.82 -0.82 31.20 0.40 68.40 1.29 2.68 24.50 0.66 70.54 0.00 0.26 0.07 27 A C C 7.29 24.42 13.12 37.41 122.12 100.02 -85.35 148.55 86.88 12.82 0.30 65.95 21.49 0.41 0.13 0.17 0.00 6.93 4.92 28 V E B 19.91 18.09 19.70 37.91 118.76 -125.64 -102.10 135.94 27.22 72.61 0.17 25.45 1.07 0.05 0.15 0.04 0.00 25.55 47.68 29 E C S 98.58 7.86 24.01 32.22 116.93 -115.12 -74.28 146.55 82.59 17.35 0.06 15.74 66.71 1.00 0.01 0.05 0.00 15.04 1.44 30 N C S 86.89 8.32 23.85 32.62 93.83 0.93 58.85 48.98 97.26 2.72 0.02 11.50 85.68 0.57 0.00 0.01 0.00 1.99 0.25 31 P C C 5.75 24.73 13.98 39.54 116.82 -156.54 -69.04 143.76 97.30 2.65 0.05 96.37 1.42 0.11 0.02 0.02 0.00 1.25 0.81 32 T C C 47.68 7.30 26.72 34.73 125.06 -139.39 -93.93 162.82 88.48 11.22 0.30 85.80 1.28 0.06 0.28 0.03 0.00 1.38 11.17 33 A H H 14.89 21.88 16.74 38.36 91.28 -109.69 -59.07 -38.30 0.74 0.00 99.26 0.10 0.10 0.43 99.23 0.14 0.00 0.00 0.00 34 T H H 82.13 3.45 25.09 28.67 91.26 54.67 -63.30 -41.10 0.17 0.00 99.83 0.02 0.01 0.11 99.78 0.09 0.00 0.00 0.00 35 E H H 44.07 13.73 22.28 35.93 91.67 50.45 -64.84 -41.42 0.04 0.00 99.96 0.00 0.00 0.03 99.91 0.06 0.00 0.00 0.00 36 I H H 0.62 29.05 18.45 48.84 90.67 49.53 -63.54 -43.52 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 37 Q H H 60.54 15.05 22.67 36.59 91.16 51.18 -62.37 -42.50 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 38 D H H 78.27 3.25 26.74 29.39 91.62 49.90 -64.36 -42.05 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 39 V H H 9.11 19.75 21.08 40.87 91.74 49.21 -63.82 -44.04 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 40 C H H 2.89 25.19 17.12 42.56 91.26 49.52 -63.60 -42.89 0.13 0.00 99.87 0.01 0.00 0.09 99.85 0.04 0.00 0.00 0.00 41 S H H 69.12 5.17 21.16 27.33 91.44 51.27 -63.17 -40.24 0.70 0.00 99.30 0.02 0.02 0.60 99.13 0.23 0.00 0.00 0.00 42 A H H 62.91 6.47 19.66 27.06 90.49 55.63 -65.46 -29.20 6.78 0.00 93.22 0.07 0.11 7.09 92.35 0.37 0.00 0.00 0.00 43 V C T 29.51 17.78 14.80 32.75 93.74 49.20 -88.08 -0.17 73.89 0.02 26.09 0.19 0.73 73.08 25.40 0.57 0.00 0.00 0.02 44 G C T 50.90 2.52 22.90 25.23 96.19 -105.56 85.29 13.08 99.91 0.01 0.08 0.80 0.75 98.41 0.02 0.01 0.00 0.00 0.00 45 L C C 14.04 23.19 10.68 33.38 122.33 137.06 -97.30 146.11 97.21 2.77 0.02 96.47 1.03 0.05 0.00 0.01 0.00 2.30 0.15 46 N E E 92.89 3.97 25.43 29.54 109.09 -126.54 -86.75 116.59 45.23 54.71 0.06 43.68 1.06 0.13 0.01 0.04 0.00 54.58 0.49 47 V E E 18.94 24.47 12.34 36.19 127.31 -174.67 -122.71 140.27 15.15 84.82 0.03 13.69 0.85 0.05 0.01 0.01 0.00 85.17 0.22 48 F E E 86.68 7.82 26.04 34.19 124.74 -166.07 -119.82 138.15 1.59 98.39 0.01 1.41 0.10 0.01 0.00 0.00 0.00 98.42 0.06 49 L E E 51.07 19.19 16.62 34.92 118.06 -141.44 -98.96 129.98 1.74 98.25 0.01 1.63 0.08 0.01 0.01 0.00 0.00 98.15 0.13 50 E E E 42.76 14.48 15.40 30.81 110.59 -147.97 -96.33 115.57 18.61 81.29 0.09 17.83 0.64 0.09 0.03 0.05 0.00 80.68 0.69 51 K C E 134.57 5.17 17.86 24.61 96.68 -163.32 -72.11 -22.65 66.98 31.66 1.36 20.69 20.66 26.62 0.12 1.26 0.00 29.87 0.78 52 N C S 104.62 4.39 17.90 22.92 97.88 52.70 -87.55 12.16 84.92 13.98 1.10 20.67 35.74 28.58 0.09 1.13 0.00 12.92 0.86 53 K C C 57.82 15.49 13.58 29.09 116.20 115.04 -88.20 134.87 83.93 13.66 2.41 66.82 12.80 3.76 0.63 2.02 0.00 9.80 4.16 54 M C C 63.41 11.96 18.47 30.91 125.82 -161.39 -115.67 147.14 79.73 18.57 1.71 64.12 11.56 2.64 0.72 1.07 0.00 8.09 11.79 55 Y C C 50.57 14.72 15.96 31.27 116.69 -115.99 -87.93 136.97 84.18 12.51 3.32 57.72 20.07 5.75 1.16 2.20 0.00 6.01 7.09 56 S C T 43.95 11.62 15.44 27.68 96.99 -109.13 -64.98 -23.34 75.62 3.13 21.25 22.01 21.06 33.74 4.88 15.05 0.03 1.54 1.69 57 R C T 134.16 6.75 16.29 23.56 95.09 56.02 -78.16 -10.47 73.38 1.64 24.98 14.29 22.43 37.30 6.40 17.59 0.03 0.74 1.21 58 E C C 75.90 9.28 13.04 23.44 112.62 79.66 -94.28 113.81 66.36 4.24 29.41 27.65 20.93 19.25 7.93 19.60 0.09 1.82 2.72 59 W C T 149.10 6.76 13.68 21.71 96.97 -157.22 -70.16 -16.55 64.88 2.85 32.28 22.33 12.44 31.27 7.67 23.18 0.05 1.41 1.65 60 N C T 74.82 8.65 11.77 21.60 99.99 70.33 -83.10 12.97 70.23 1.71 28.05 28.12 11.66 31.44 5.74 21.18 0.01 0.81 1.04 61 R C C 145.05 5.14 13.44 20.00 98.55 78.23 -83.85 -2.45 76.42 1.65 21.93 35.82 24.83 16.32 5.44 15.65 0.00 0.71 1.23 62 D C C 65.38 6.23 12.43 20.63 114.08 105.40 -85.05 128.08 90.76 2.08 7.16 63.76 22.06 4.42 2.83 4.26 0.00 0.74 1.93 63 V H G 96.65 6.40 13.01 21.14 93.36 -145.14 -63.14 -28.63 37.43 0.38 62.19 4.00 4.94 26.60 2.48 61.57 0.00 0.21 0.20 64 Q H G 113.98 4.28 17.19 22.54 92.46 63.05 -72.47 -20.90 38.45 0.55 61.00 3.44 4.76 28.57 2.41 60.25 0.00 0.34 0.24 65 Y H G 63.33 14.61 15.48 30.20 100.79 47.93 -100.05 13.27 39.00 2.22 58.78 15.15 8.53 15.76 2.90 55.59 0.00 1.29 0.77 66 R C C 68.52 14.82 19.02 33.71 115.13 117.95 -82.67 137.41 91.27 5.98 2.75 63.25 17.39 10.72 0.84 1.82 0.00 3.64 2.34 67 G C C 6.99 17.72 22.20 39.48 137.51 84.45 128.71 -175.26 75.53 23.56 0.91 41.73 24.00 10.51 0.15 0.87 0.00 20.64 2.08 68 R E E 46.43 17.64 24.58 41.33 132.47 -118.98 -129.95 148.27 20.84 79.06 0.10 17.59 3.33 0.26 0.03 0.07 0.00 76.97 1.74 69 V E E 5.03 24.33 21.93 46.47 121.88 -150.06 -115.06 131.84 1.95 98.05 0.00 1.90 0.08 0.01 0.00 0.00 0.00 97.75 0.24 70 R E E 64.40 14.63 26.52 40.73 117.66 -149.65 -101.88 130.02 1.25 98.74 0.00 1.24 0.03 0.00 0.00 0.00 0.00 98.53 0.20 71 V E E 5.38 24.41 19.33 44.04 123.84 -168.87 -118.44 134.56 9.12 90.87 0.01 8.99 0.18 0.01 0.00 0.00 0.00 89.79 1.03 72 Q E E 55.78 10.98 25.18 36.73 110.70 -130.51 -83.81 124.04 45.88 54.10 0.02 45.98 0.49 0.03 0.00 0.01 0.00 52.36 1.13 73 L C C 18.32 21.42 17.25 38.46 98.10 -168.53 -84.80 -17.08 88.32 11.65 0.04 79.39 8.31 0.23 0.01 0.04 0.00 11.57 0.45 74 K E B 80.75 8.74 17.88 27.72 132.44 46.12 -129.54 150.11 15.85 84.05 0.10 13.30 0.66 0.02 0.10 0.01 0.00 11.60 74.31 75 Q C C 66.14 8.35 12.02 21.94 122.83 -125.31 -80.62 173.43 96.69 3.26 0.06 97.02 0.41 0.07 0.02 0.02 0.00 1.53 0.93 76 E C T 166.45 1.06 11.17 13.03 90.26 -92.92 -62.41 -25.35 99.66 0.13 0.21 0.26 2.75 96.71 0.00 0.18 0.00 0.08 0.02 77 D C T 122.17 0.66 11.70 11.42 92.79 55.41 -87.79 0.87 99.72 0.05 0.23 0.13 2.58 97.05 0.00 0.20 0.00 0.02 0.01 78 G C S 43.35 5.37 10.75 17.91 96.57 -103.66 85.39 6.66 99.57 0.27 0.16 9.67 89.46 0.56 0.01 0.08 0.00 0.09 0.12 79 S C C 56.00 3.71 14.70 19.91 119.76 134.04 -80.52 148.81 98.54 1.40 0.06 83.58 14.82 0.26 0.02 0.03 0.00 0.58 0.69 80 L E B 69.29 12.06 13.65 26.35 112.57 -104.77 -69.20 140.38 9.79 90.08 0.13 6.29 0.47 0.03 0.11 0.01 0.00 8.56 84.53 81 C C C 42.56 12.93 14.67 28.24 104.19 -140.53 -83.49 -9.79 93.33 5.56 1.12 67.45 22.92 3.01 0.25 0.98 0.00 3.92 1.46 82 L C C 54.77 13.80 13.20 27.12 113.69 62.61 -95.47 112.20 88.43 4.59 6.98 57.00 25.71 5.19 0.84 6.17 0.00 2.06 3.04 83 V C T 107.72 3.52 16.90 21.53 95.57 -150.57 -70.79 -24.74 90.63 0.86 8.51 5.78 16.24 68.00 0.46 8.59 0.00 0.52 0.41 84 Q C T 114.58 4.53 17.40 22.58 96.01 55.31 -80.40 -16.82 91.73 0.80 7.47 8.19 11.58 70.97 0.40 8.01 0.00 0.52 0.33 85 F C C 25.16 19.89 9.12 28.06 110.26 58.50 -109.18 97.86 97.24 1.85 0.91 68.58 27.06 1.35 0.34 0.46 0.00 0.50 1.71 86 P C C 86.95 4.34 19.42 24.52 95.50 -171.90 -75.81 -23.17 99.58 0.23 0.19 53.11 45.50 1.01 0.07 0.08 0.00 0.08 0.15 87 S C S 44.40 4.79 23.14 27.95 140.00 11.27 -148.09 166.22 97.34 1.74 0.91 14.34 82.30 0.48 0.82 0.07 0.00 0.20 1.78 88 R H H 66.57 19.43 15.00 33.52 91.43 -103.05 -60.69 -36.35 2.64 0.01 97.35 0.32 0.61 1.55 97.04 0.46 0.00 0.00 0.00 89 K H H 112.89 7.39 21.70 29.98 91.34 56.02 -62.74 -40.73 1.28 0.00 98.72 0.16 0.12 0.86 98.39 0.48 0.00 0.00 0.00 90 S H H 34.19 7.11 22.40 30.59 91.55 50.37 -64.80 -40.47 0.31 0.00 99.69 0.08 0.03 0.16 99.38 0.36 0.00 0.00 0.00 91 V H H 3.66 24.01 18.93 43.14 91.29 50.56 -63.34 -43.84 0.05 0.00 99.95 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 92 M H H 14.80 22.19 22.03 43.21 91.51 50.05 -64.01 -42.65 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 93 L H H 68.14 7.77 25.60 33.74 91.63 50.33 -63.86 -42.11 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 94 Y H H 58.96 11.23 24.58 36.26 91.81 49.19 -64.45 -42.42 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 95 A H H 1.96 25.34 19.83 45.39 91.36 49.99 -63.58 -43.04 0.19 0.00 99.81 0.01 0.01 0.15 99.76 0.08 0.00 0.00 0.00 96 A H H 18.43 17.91 20.23 37.81 91.15 52.14 -63.86 -38.01 1.12 0.00 98.88 0.03 0.03 1.09 98.06 0.79 0.00 0.00 0.00 97 E H H 116.10 3.47 24.46 27.96 91.88 52.60 -69.70 -31.22 13.34 0.00 86.66 0.09 0.17 14.62 83.87 1.24 0.00 0.00 0.00 98 M H H 50.04 12.90 18.94 32.31 95.87 46.58 -86.09 -18.78 27.96 0.02 72.02 0.59 1.22 26.43 69.83 1.89 0.02 0.00 0.02 99 I H G 10.61 24.44 13.22 37.06 94.59 80.01 -64.41 -42.35 23.08 0.37 76.54 9.46 4.21 8.79 37.70 39.47 0.02 0.20 0.15 100 P H G 64.96 7.98 18.15 27.06 93.50 53.55 -66.42 -26.42 21.09 0.45 78.46 8.82 2.48 8.52 36.55 43.23 0.00 0.28 0.12 101 K H G 129.29 3.55 17.96 22.01 96.17 56.34 -75.15 -16.89 21.80 0.82 77.38 8.75 3.15 8.90 36.01 42.46 0.02 0.49 0.22 102 L H H 57.29 14.83 10.86 25.13 102.64 75.10 -80.16 13.49 46.90 2.91 50.20 26.41 10.10 11.36 31.26 18.09 0.06 1.41 1.32 103 K C C 126.29 5.95 12.30 19.72 106.10 85.34 -87.13 40.69 77.90 1.95 20.14 63.52 2.01 12.76 16.32 3.34 0.00 1.00 1.05 104 T C C 88.51 5.12 12.72 19.33 110.07 104.65 -94.93 104.25 99.91 0.05 0.04 99.77 0.10 0.08 0.02 0.00 0.00 0.02 0.01