# 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 51.96 14.63 17.43 32.01 123.89 -169.38 -111.13 144.84 99.49 0.50 0.00 99.51 0.09 0.01 0.00 0.00 0.00 0.38 0.01 1 D E E 62.65 9.56 20.56 30.48 116.93 -131.87 -95.36 132.48 36.56 63.42 0.01 35.93 0.41 0.04 0.00 0.01 0.00 63.08 0.53 2 V E E 8.52 22.57 15.93 38.80 124.16 -164.63 -118.90 136.72 4.03 95.96 0.00 3.86 0.15 0.01 0.00 0.00 0.00 95.91 0.07 3 F E E 42.77 11.63 25.31 37.80 119.05 -155.33 -109.14 132.16 0.56 99.44 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.43 0.01 4 L E E 3.12 25.59 19.74 46.20 119.09 -162.64 -111.00 127.40 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 5 M E E 31.46 12.78 26.19 39.76 117.82 -158.98 -107.16 126.60 0.31 99.68 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 6 I E E 6.75 22.91 18.96 42.37 122.01 -167.41 -117.14 130.48 0.67 99.33 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.37 0.01 7 R E E 72.13 10.92 21.22 32.96 117.34 -157.13 -107.87 125.48 5.42 94.56 0.02 4.56 0.46 0.05 0.00 0.01 0.00 94.82 0.09 8 R E E 66.50 13.72 13.97 28.10 120.93 174.02 -130.73 123.61 35.94 63.92 0.14 30.78 3.25 0.54 0.03 0.10 0.00 64.85 0.44 9 H C T 129.43 4.15 15.84 20.85 103.27 -43.54 50.52 -116.65 98.67 0.87 0.46 5.41 33.79 59.49 0.04 0.46 0.00 0.68 0.13 10 K C T 167.90 1.62 14.50 16.30 97.20 -22.02 -86.22 1.22 98.92 0.67 0.41 4.31 32.63 61.98 0.03 0.43 0.00 0.52 0.10 11 T E E 59.91 7.98 13.10 22.81 123.34 90.06 -109.84 139.97 22.80 77.11 0.09 17.28 4.50 0.53 0.02 0.07 0.00 77.25 0.36 12 T E E 62.85 11.42 15.00 27.28 122.47 -157.44 -115.93 131.88 3.55 96.44 0.00 3.11 0.15 0.01 0.00 0.00 0.00 96.68 0.05 13 I E E 32.74 14.53 17.55 33.33 121.11 -167.17 -117.63 130.65 0.59 99.41 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.46 0.00 14 F E E 97.02 11.30 20.58 32.20 120.45 -159.67 -109.54 130.57 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.54 0.00 15 T E E 19.55 17.83 17.83 35.80 132.54 174.92 -135.78 152.36 1.09 98.91 0.00 1.03 0.02 0.00 0.00 0.00 0.00 98.93 0.01 16 D E E 79.95 7.67 24.69 32.99 116.05 -131.22 -95.54 129.24 2.67 97.32 0.00 2.52 0.12 0.00 0.00 0.00 0.00 97.32 0.04 17 A E E 5.74 23.62 14.84 38.55 134.82 173.04 -136.48 158.12 12.15 87.84 0.01 12.26 0.26 0.01 0.00 0.00 0.00 85.91 1.57 18 K C C 94.48 5.26 25.52 30.94 121.78 -119.08 -87.92 153.74 51.46 48.45 0.10 50.95 0.77 0.14 0.03 0.07 0.00 46.09 1.96 19 E C T 54.91 19.12 15.10 33.73 90.90 -109.05 -61.61 -27.41 99.63 0.15 0.22 0.16 1.95 97.66 0.01 0.13 0.00 0.08 0.02 20 S C T 75.27 3.63 22.45 26.76 93.69 57.21 -90.32 -1.06 99.73 0.08 0.19 0.24 1.79 97.74 0.01 0.17 0.00 0.05 0.01 21 S C C 14.22 16.54 15.44 33.19 118.41 119.52 -69.90 146.83 98.18 1.74 0.08 58.11 40.37 0.18 0.02 0.06 0.00 0.88 0.38 22 T E B 38.08 8.39 25.40 34.67 121.69 -117.34 -80.65 160.34 7.30 92.67 0.03 5.37 0.08 0.00 0.03 0.00 0.00 5.07 89.45 23 V H H 4.92 25.58 16.86 43.32 90.68 -113.58 -58.59 -38.94 1.90 0.06 98.04 0.28 0.27 1.46 97.38 0.54 0.03 0.03 0.01 24 F H H 87.28 10.20 23.87 34.15 91.38 54.49 -62.58 -40.51 0.56 0.00 99.44 0.03 0.03 0.51 99.03 0.40 0.00 0.00 0.00 25 E H H 81.55 5.95 25.88 32.30 91.61 49.53 -65.03 -40.82 0.21 0.00 99.79 0.02 0.01 0.18 99.48 0.32 0.00 0.00 0.00 26 L H H 2.30 25.82 19.49 45.61 91.44 50.44 -63.72 -43.25 0.10 0.00 99.90 0.01 0.01 0.07 99.84 0.07 0.00 0.00 0.00 27 K H H 36.85 20.26 21.21 40.05 91.38 52.23 -61.80 -42.94 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 28 R H H 132.66 3.40 25.54 28.97 91.50 50.14 -64.27 -41.66 0.08 0.00 99.92 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 29 I H H 47.10 10.89 23.03 34.38 92.07 48.24 -65.27 -42.90 0.13 0.00 99.87 0.00 0.01 0.12 99.85 0.02 0.00 0.00 0.00 30 V H H 2.31 25.53 17.35 43.45 91.88 47.66 -65.03 -42.67 0.35 0.00 99.65 0.02 0.02 0.28 99.65 0.03 0.00 0.00 0.00 31 E H H 50.15 13.20 17.85 31.56 91.61 51.38 -63.27 -40.85 0.82 0.00 99.18 0.06 0.05 0.61 99.14 0.14 0.00 0.00 0.00 32 G H H 45.48 2.26 21.27 22.52 92.32 50.96 -65.63 -40.86 3.11 0.00 96.89 0.12 0.12 2.82 96.56 0.37 0.00 0.00 0.00 33 I H H 66.45 11.03 17.46 28.91 96.27 43.22 -76.77 -38.71 7.03 0.02 92.95 0.19 0.41 6.57 92.43 0.37 0.01 0.00 0.01 34 L H H 34.74 16.03 13.67 29.79 97.94 33.37 -96.49 -10.30 21.02 0.15 78.83 2.01 4.70 14.44 78.13 0.50 0.07 0.03 0.12 35 K C T 166.51 1.42 19.09 20.16 94.14 -128.92 57.84 38.44 99.58 0.07 0.36 38.50 8.58 52.56 0.19 0.11 0.00 0.03 0.03 36 R C C 71.33 10.96 13.51 25.89 131.83 122.98 -126.15 152.68 99.71 0.27 0.02 67.22 32.43 0.07 0.01 0.00 0.00 0.06 0.20 37 P C C 60.47 4.42 20.73 25.50 113.81 -98.40 -64.77 146.34 99.89 0.08 0.03 99.69 0.22 0.02 0.01 0.01 0.00 0.02 0.03 38 P H G 31.51 20.49 11.66 31.48 91.05 -117.83 -57.95 -34.62 6.31 0.04 93.65 0.46 0.48 3.89 0.39 94.75 0.00 0.03 0.00 39 D H G 107.23 3.38 20.48 24.87 90.00 62.65 -69.60 -17.50 5.41 0.06 94.54 0.19 0.35 3.78 0.31 95.33 0.00 0.04 0.00 40 E H G 97.97 6.42 20.60 27.81 95.90 52.73 -96.53 -0.47 6.22 0.17 93.61 0.71 0.72 3.46 0.34 94.63 0.00 0.13 0.00 41 Q C C 11.47 23.84 13.23 37.02 121.00 96.18 -91.32 141.51 53.45 46.25 0.30 48.45 5.75 0.23 0.09 0.24 0.00 42.88 2.37 42 R E E 82.10 10.58 27.49 38.50 128.23 -169.37 -126.51 141.06 9.60 90.38 0.02 9.96 0.23 0.02 0.01 0.01 0.00 88.46 1.31 43 L E E 4.07 25.46 19.25 45.53 115.72 -134.94 -92.63 131.43 4.54 95.44 0.01 4.05 0.44 0.02 0.00 0.01 0.00 95.39 0.09 44 Y E E 30.96 13.47 22.87 37.38 132.38 -174.55 -131.08 149.98 0.80 99.19 0.01 0.74 0.07 0.01 0.00 0.00 0.00 98.97 0.20 45 K E E 47.80 16.37 16.03 32.36 119.92 -162.66 -126.38 123.11 2.39 97.54 0.07 1.37 0.70 0.37 0.02 0.06 0.00 96.79 0.70 46 D C T 95.29 5.85 16.55 23.51 96.39 -22.84 52.09 39.86 99.70 0.15 0.15 0.32 3.38 96.07 0.00 0.12 0.00 0.09 0.02 47 D C T 121.38 2.68 15.02 18.80 93.93 -45.01 64.11 13.10 99.79 0.10 0.12 0.41 3.93 95.47 0.01 0.09 0.00 0.07 0.01 48 Q E E 110.02 3.00 16.68 21.09 123.12 107.14 -110.96 138.01 3.02 96.96 0.02 1.73 1.26 0.08 0.01 0.01 0.00 94.38 2.54 49 L E E 92.61 9.20 15.95 26.25 113.62 -114.91 -72.98 136.08 6.90 93.09 0.01 6.64 0.25 0.02 0.01 0.00 0.00 91.84 1.25 50 L C C 16.81 22.53 10.05 32.10 114.39 -116.76 -74.91 141.10 89.36 10.62 0.01 88.58 0.89 0.06 0.00 0.01 0.00 10.10 0.36 51 D C C 88.46 3.66 22.99 26.11 110.44 -137.38 -94.06 125.98 99.27 0.68 0.05 98.42 0.84 0.14 0.01 0.02 0.00 0.29 0.28 52 D C T 75.33 14.47 12.55 26.76 92.56 -140.51 -64.70 -17.07 99.58 0.18 0.24 0.80 3.46 95.39 0.02 0.17 0.00 0.10 0.06 53 G C T 55.92 2.15 18.77 20.90 92.10 59.23 -86.80 -4.55 99.75 0.10 0.15 0.94 2.90 95.94 0.01 0.12 0.00 0.07 0.02 54 K C C 73.45 10.02 16.15 27.39 121.39 100.72 -85.09 149.54 98.05 1.89 0.06 72.52 25.49 0.28 0.02 0.05 0.00 0.93 0.70 55 T E B 33.24 11.12 21.53 33.38 123.34 -125.66 -87.16 158.68 10.41 89.51 0.08 6.35 0.27 0.01 0.07 0.00 0.00 4.95 88.35 56 L H G 5.24 25.77 14.42 41.14 90.36 -110.84 -58.49 -37.48 34.77 0.53 64.70 1.47 2.60 31.27 9.89 54.19 0.02 0.32 0.24 57 G H G 31.67 11.73 18.81 30.78 90.80 59.67 -63.60 -34.37 20.35 0.07 79.58 0.47 0.96 19.31 12.09 67.10 0.01 0.05 0.03 58 E H G 130.59 2.98 21.45 24.78 90.73 56.53 -68.49 -23.87 16.10 0.09 83.81 0.57 1.12 14.45 12.60 71.17 0.00 0.05 0.03 59 C H G 31.18 16.32 15.22 31.84 94.99 50.55 -94.65 2.35 41.73 0.24 58.04 0.86 2.77 38.73 10.74 46.53 0.03 0.11 0.21 60 G C T 41.40 5.23 23.34 29.20 97.98 -100.32 90.00 10.78 98.32 0.20 1.48 5.94 3.48 89.19 0.41 0.77 0.00 0.12 0.09 61 F C C 12.98 24.31 11.94 36.16 113.35 140.56 -85.39 127.20 94.35 4.79 0.86 89.49 3.47 0.96 0.38 0.36 0.00 1.73 3.61 62 T C C 53.26 6.94 23.34 30.38 131.37 163.09 -127.30 164.45 88.68 9.32 2.00 78.53 6.99 2.09 1.03 0.84 0.00 2.77 7.74 63 S C T 49.97 15.13 14.44 29.01 92.55 -103.62 -64.57 -27.38 74.33 4.29 21.38 12.38 17.81 44.19 6.10 14.19 0.12 2.04 3.18 64 Q C T 135.93 2.07 19.45 21.53 94.15 58.94 -75.56 -18.38 78.80 1.69 19.51 7.99 15.53 55.39 5.21 13.68 0.04 0.89 1.28 65 T C T 64.64 8.73 17.24 26.61 100.61 41.31 -100.96 -14.38 78.64 4.76 16.59 14.59 21.42 43.44 5.14 10.08 0.11 2.31 2.91 66 A C C 19.52 19.90 11.21 29.98 121.51 73.25 -105.07 140.35 86.43 9.60 3.97 40.90 38.50 6.64 1.79 1.88 0.01 3.26 7.02 67 R C C 130.14 5.16 20.08 25.80 117.90 -126.70 -83.57 144.43 88.79 7.97 3.24 53.82 24.98 9.52 0.76 2.62 0.00 3.31 4.98 68 P C T 71.41 10.65 15.72 26.67 101.97 -71.10 -66.99 23.01 93.32 1.43 5.25 10.48 18.17 63.89 0.55 5.31 0.00 0.83 0.76 69 Q C T 107.91 7.86 18.81 26.80 99.48 33.04 -78.58 4.72 91.40 3.02 5.58 15.46 19.79 55.73 0.70 5.30 0.00 1.79 1.24 70 A C S 38.03 12.21 17.54 30.34 120.42 102.56 -108.44 134.75 90.12 7.31 2.57 42.15 43.97 4.03 0.66 1.87 0.00 3.21 4.10 71 P C C 55.74 11.71 20.54 32.15 112.57 -110.72 -70.84 147.47 91.77 5.35 2.88 66.93 17.37 7.25 0.57 2.57 0.00 3.71 1.61 72 A C C 13.32 22.24 16.74 38.19 119.17 -129.59 -91.53 144.40 71.47 25.75 2.79 57.91 8.89 3.89 0.52 2.41 0.00 24.44 1.94 73 T E E 50.73 11.11 26.51 37.95 119.60 -137.93 -106.57 132.00 23.30 75.93 0.78 19.05 3.80 0.88 0.26 0.53 0.00 73.12 2.35 74 V E E 11.61 24.15 19.40 43.35 119.74 -154.36 -105.95 130.66 9.49 90.31 0.20 8.47 1.10 0.23 0.08 0.12 0.00 89.15 0.86 75 G E E 8.40 16.06 26.25 42.19 135.84 162.81 -135.03 159.51 5.89 94.04 0.06 5.06 0.79 0.11 0.02 0.04 0.00 93.78 0.22 76 L E E 16.48 21.41 23.29 44.11 118.35 -115.43 -96.32 137.01 4.55 95.40 0.05 4.24 0.28 0.04 0.01 0.02 0.00 95.27 0.14 77 A E E 8.52 19.66 21.02 40.72 130.13 -172.33 -126.84 148.05 3.33 96.62 0.05 3.12 0.20 0.03 0.02 0.02 0.00 96.42 0.19 78 F E E 37.36 14.30 20.50 35.53 125.74 -155.35 -117.27 143.32 1.89 98.08 0.03 1.65 0.14 0.02 0.01 0.01 0.00 98.03 0.13 79 R E E 98.59 11.02 15.44 27.27 113.65 -129.05 -89.66 127.11 8.60 91.32 0.08 7.08 1.07 0.19 0.01 0.05 0.00 91.34 0.26 80 A E E 47.64 8.48 10.47 20.45 122.19 171.71 -127.92 132.63 22.08 77.50 0.42 13.92 6.66 2.89 0.06 0.39 0.00 75.18 0.89 81 D C T 132.16 0.71 12.78 12.59 97.47 -15.53 46.43 27.02 99.15 0.44 0.41 2.11 16.76 80.23 0.02 0.48 0.00 0.33 0.08 82 D C T 130.65 1.23 11.47 13.29 95.97 -46.10 62.32 13.01 99.31 0.30 0.38 2.01 19.35 77.90 0.01 0.44 0.00 0.22 0.06 83 T E E 82.23 2.50 14.54 18.33 128.07 91.95 -121.81 150.84 19.25 80.67 0.08 11.45 8.38 0.70 0.02 0.07 0.00 78.25 1.13 84 F E E 75.51 15.23 9.64 24.65 116.19 -122.18 -87.19 133.02 7.96 92.02 0.03 7.10 0.60 0.06 0.01 0.01 0.00 91.65 0.57 85 E E E 76.46 7.52 17.93 26.71 124.32 -165.19 -114.74 144.85 12.83 87.14 0.03 11.88 0.59 0.06 0.01 0.02 0.00 87.00 0.44 86 A E E 62.07 7.76 19.29 27.69 115.63 -103.78 -68.85 145.30 28.37 71.51 0.12 26.65 1.15 0.15 0.04 0.07 0.00 71.16 0.77 87 L C C 21.28 22.21 11.59 33.33 114.95 -116.20 -80.82 136.63 54.93 44.91 0.16 52.11 1.57 0.21 0.04 0.10 0.00 45.44 0.53 88 C E E 69.61 5.56 23.13 29.10 118.48 -151.37 -106.39 131.33 26.64 73.22 0.14 25.04 1.21 0.18 0.05 0.09 0.00 71.12 2.32 89 I E E 44.30 20.07 12.37 31.46 118.76 -159.14 -107.33 126.75 30.17 69.70 0.13 27.93 1.61 0.17 0.05 0.09 0.00 65.69 4.47 90 E C C 102.11 4.88 19.84 25.56 121.97 -172.44 -116.73 134.96 56.76 43.06 0.18 51.69 3.42 0.35 0.04 0.15 0.00 43.04 1.31 91 P C C 76.87 9.09 15.51 25.34 113.23 -103.41 -67.40 145.42 66.21 30.62 3.16 55.27 6.98 3.47 0.48 3.06 0.00 28.68 2.07 92 F C C 90.39 13.17 11.83 24.82 112.26 -126.59 -85.29 130.18 87.06 6.59 6.35 58.58 14.95 12.36 0.72 6.94 0.00 4.42 2.03 93 S C C 65.51 6.34 13.18 20.80 113.66 -135.29 -96.71 139.80 90.27 4.98 4.74 49.25 29.25 11.19 0.57 4.86 0.00 2.63 2.25 94 S C S 80.99 3.34 13.79 18.55 116.25 -105.99 -98.17 132.34 96.55 3.01 0.44 47.06 48.53 1.23 0.12 0.28 0.00 1.21 1.56 95 P C C 75.44 8.42 10.59 20.33 115.95 -106.97 -71.30 149.74 98.71 0.67 0.62 88.96 8.43 1.37 0.18 0.41 0.00 0.31 0.36 96 P C C 75.40 6.71 11.43 19.76 113.24 -103.99 -67.09 151.19 96.44 0.64 2.92 75.92 9.76 10.49 0.68 2.43 0.00 0.29 0.44 97 E C C 150.27 1.83 13.73 16.51 110.03 -105.81 -78.32 134.61 94.02 1.81 4.17 57.93 25.05 10.68 1.24 2.93 0.00 0.68 1.49 98 L C C 78.79 9.53 8.46 18.84 113.54 -123.83 -94.40 128.67 92.10 1.36 6.54 68.31 20.58 3.30 3.39 2.81 0.00 0.53 1.07 99 P C C 79.68 4.70 11.75 18.10 103.74 -120.78 -66.37 -24.48 72.09 1.16 26.75 44.01 7.62 20.31 6.69 20.11 0.00 0.60 0.66 100 D C T 112.26 2.85 11.88 15.96 97.10 -83.97 -73.36 -11.42 61.61 2.41 35.98 19.56 12.70 30.74 8.22 26.25 0.03 1.25 1.24 101 V C G 91.44 5.27 10.97 17.71 101.00 64.20 -87.52 -5.91 57.45 6.88 35.67 21.01 14.74 24.23 8.79 24.45 0.14 4.04 2.59 102 M C C 103.25 6.73 9.75 17.82 110.98 82.07 -92.91 113.35 63.85 12.85 23.30 33.81 18.80 12.47 7.80 14.35 0.15 6.66 5.96 103 K C C 123.26 4.18 11.26 17.31 118.61 -135.86 -92.89 142.14 92.33 6.57 1.11 56.24 35.43 1.38 0.54 0.51 0.00 3.43 2.47 104 P C C 92.29 4.09 11.32 17.15 112.44 -103.28 -66.53 147.10 88.96 5.38 5.66 77.22 6.28 5.38 2.09 3.38 0.00 3.42 2.23 105 Q C C 125.80 4.18 9.34 15.47 108.68 -119.89 -83.04 128.69 83.85 5.49 10.67 50.24 18.61 15.10 3.23 7.24 0.00 2.64 2.93 106 D C C 108.19 2.75 9.67 14.09 110.80 -151.76 -91.54 111.36 83.89 5.50 10.61 43.01 22.85 18.63 2.97 7.21 0.01 2.67 2.65 107 S C C 82.31 3.00 9.61 14.26 107.06 -154.23 -91.24 68.47 86.92 3.34 9.74 42.84 21.69 22.95 3.04 6.20 0.00 1.64 1.63 108 G C C 52.93 3.03 10.23 14.83 107.10 -102.90 81.93 5.99 86.51 2.61 10.88 37.44 26.60 23.29 4.17 5.92 0.01 1.16 1.42 109 S C C 73.07 3.87 10.10 15.53 112.30 124.40 -91.33 133.87 78.06 3.08 18.86 39.65 22.40 16.63 10.77 7.50 0.02 1.39 1.64 110 S C C 73.23 3.81 10.73 15.96 107.27 -130.06 -88.23 117.58 65.92 3.46 30.63 36.50 15.67 14.52 20.79 9.18 0.04 1.68 1.63 111 A C H 70.59 4.93 9.85 16.28 100.51 46.31 -75.58 -11.99 51.63 2.57 45.80 25.39 12.98 15.22 33.15 10.77 0.07 1.33 1.08 112 N H H 109.60 3.07 10.69 15.14 102.11 58.85 -86.30 11.85 47.97 2.79 49.24 25.91 10.73 13.43 36.74 10.54 0.07 1.52 1.06 113 E H H 123.11 3.55 10.02 15.23 108.45 91.64 -86.44 96.47 41.14 3.90 54.96 24.28 9.09 10.08 42.12 10.76 0.09 2.32 1.25 114 Q H H 117.82 3.48 9.17 14.34 109.73 90.05 -89.43 115.66 43.31 6.50 50.20 27.01 8.03 10.17 38.62 9.93 0.10 4.36 1.79 115 A C H 78.61 3.17 8.29 13.21 108.88 -131.19 -82.53 126.97 49.71 8.75 41.54 30.92 8.14 11.88 32.42 8.05 0.08 6.08 2.42 116 V C C 111.41 2.68 7.56 12.00 110.27 -137.01 -89.10 117.75 68.01 5.14 26.85 53.57 2.43 11.97 22.61 4.14 0.01 3.17 2.12 117 Q C C 134.76 2.49 10.46 14.66 108.78 -134.71 -84.64 115.07 99.72 0.10 0.18 99.37 0.16 0.25 0.13 0.01 0.00 0.06 0.02