# 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 V C C 29.03 17.39 22.24 38.87 120.52 -163.68 -109.08 129.40 99.61 0.38 0.00 99.67 0.06 0.01 0.00 0.00 0.00 0.24 0.02 1 V C C 13.15 20.98 17.90 39.04 118.35 -155.38 -103.22 129.54 62.67 37.27 0.06 61.61 0.78 0.12 0.03 0.03 0.00 36.52 0.91 2 H E E 64.27 10.36 21.91 32.97 118.67 -158.89 -108.37 128.08 6.38 93.53 0.09 5.66 0.69 0.11 0.05 0.04 0.00 92.12 1.33 3 I E E 14.72 21.98 14.57 36.40 115.99 -167.72 -119.23 117.03 4.01 95.82 0.17 2.55 1.18 0.37 0.11 0.09 0.00 90.95 4.77 4 L C T 71.99 12.26 16.44 29.50 92.39 -15.67 55.90 38.33 99.04 0.55 0.42 0.65 2.98 95.63 0.06 0.25 0.00 0.37 0.07 5 G C T 53.69 4.04 17.52 22.62 94.94 -53.33 81.14 2.77 99.66 0.15 0.20 0.67 3.34 95.71 0.01 0.14 0.00 0.11 0.02 6 K E E 96.16 7.53 16.22 25.20 121.41 109.10 -108.37 135.03 5.39 94.52 0.09 3.17 2.08 0.38 0.04 0.05 0.00 88.91 5.35 7 G E E 36.53 8.59 17.90 27.32 112.40 -121.20 -78.27 134.08 11.89 88.03 0.08 9.83 1.77 0.30 0.03 0.05 0.00 85.95 2.07 8 F C C 19.80 22.23 10.76 32.42 111.85 -141.22 -93.11 121.41 79.98 18.93 1.08 70.80 6.03 1.96 0.33 0.77 0.00 18.83 1.28 9 K C C 132.18 3.79 21.07 25.01 107.32 -144.73 -80.94 103.54 89.12 5.48 5.40 60.37 13.36 14.95 0.91 4.99 0.00 3.96 1.45 10 G C T 40.11 8.26 15.62 24.34 103.60 -58.75 70.60 -47.48 90.42 1.94 7.64 6.47 26.08 58.12 0.90 6.57 0.01 1.28 0.58 11 K C T 133.06 6.24 17.23 24.12 100.02 20.59 -94.04 5.80 85.58 7.20 7.23 20.51 18.18 47.38 1.04 6.03 0.01 5.94 0.90 12 E C C 80.63 10.04 18.19 28.95 118.46 119.95 -89.70 139.12 53.73 43.61 2.66 42.97 9.54 1.68 1.16 1.56 0.00 40.29 2.80 13 V E E 55.15 13.49 20.64 34.02 115.42 -126.10 -84.50 134.47 14.94 83.69 1.37 13.69 0.81 0.24 1.44 0.37 0.00 71.03 12.42 14 I E E 8.10 24.40 15.76 40.54 116.92 -146.17 -99.77 130.95 28.94 64.17 6.89 26.19 1.34 0.71 5.93 1.16 0.00 62.81 1.84 15 K E E 87.53 11.84 24.92 36.16 113.89 -140.99 -89.00 131.60 31.75 49.09 19.16 25.49 3.00 2.25 15.28 3.41 0.02 49.18 1.37 16 I H E 43.44 18.30 20.38 37.25 117.58 -146.98 -101.00 135.42 28.52 31.40 40.08 19.33 4.68 5.02 29.30 9.27 0.08 30.68 1.62 17 A H H 23.51 14.49 22.09 36.41 100.02 -131.93 -71.02 -34.16 33.06 16.59 50.36 22.38 5.37 6.54 33.52 15.37 0.08 15.31 1.44 18 L H H 18.90 20.77 19.39 39.19 96.72 57.74 -71.63 -30.45 34.27 6.94 58.79 22.43 5.86 7.64 39.27 18.02 0.08 5.49 1.22 19 A H H 25.47 16.93 17.74 34.20 94.34 66.26 -68.10 -26.34 34.42 5.69 59.89 18.36 6.93 11.01 39.60 18.58 0.19 3.72 1.61 20 S C H 60.74 8.50 19.43 28.24 94.03 61.65 -74.53 -20.08 50.42 2.18 47.40 12.39 9.84 28.26 30.89 15.89 0.33 1.17 1.22 21 K C T 107.54 9.18 19.61 28.83 97.27 52.86 -88.28 -10.65 62.93 2.04 35.03 11.61 13.66 37.98 20.58 13.68 0.18 1.11 1.20 22 F C S 27.32 21.19 13.28 33.81 118.98 82.74 -106.01 130.37 87.09 8.46 4.45 29.29 52.01 5.55 2.93 1.37 0.02 2.97 5.86 23 Y C T 122.69 8.90 20.73 29.92 107.88 -104.64 -68.75 123.34 93.47 3.13 3.40 6.19 19.16 68.57 1.34 1.63 0.01 1.69 1.41 24 G C T 41.37 7.30 20.79 28.68 96.27 13.54 85.01 -2.54 96.91 1.20 1.89 7.21 25.01 65.02 0.69 0.93 0.00 0.77 0.37 25 I C C 13.53 22.92 12.01 34.78 115.93 109.99 -102.59 124.33 85.24 12.91 1.86 59.66 21.90 1.74 1.44 0.42 0.00 3.01 11.83 26 G C C 27.68 5.91 23.09 29.04 126.77 -155.64 -91.99 168.77 97.14 0.72 2.14 93.03 3.40 0.47 2.39 0.08 0.00 0.26 0.37 27 K H H 109.29 11.84 16.18 28.02 92.35 -94.82 -60.49 -37.90 3.34 0.01 96.65 0.43 0.44 2.10 96.71 0.31 0.00 0.00 0.00 28 T H H 91.69 1.94 23.05 23.78 91.90 51.70 -64.50 -40.55 2.56 0.01 97.43 0.33 0.21 1.75 97.38 0.33 0.00 0.00 0.00 29 T H H 26.19 13.37 19.79 33.74 92.07 48.33 -65.65 -41.42 1.15 0.00 98.85 0.22 0.09 0.67 98.75 0.26 0.00 0.00 0.00 30 A H H 2.52 25.05 15.56 41.00 91.03 51.75 -62.68 -43.18 0.13 0.00 99.87 0.02 0.01 0.05 99.89 0.02 0.00 0.00 0.00 31 E H H 88.28 9.19 23.13 32.41 91.48 51.05 -63.52 -41.24 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 32 K H H 103.60 3.94 25.56 29.21 91.89 50.05 -64.49 -42.42 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 33 I H H 6.15 21.77 19.87 41.84 91.51 48.41 -64.01 -44.00 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 34 C H H 6.18 22.60 17.33 39.89 91.56 50.42 -62.59 -43.03 0.17 0.00 99.83 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 35 S H H 67.94 4.14 21.74 26.24 91.80 50.71 -64.41 -40.49 0.52 0.00 99.48 0.02 0.01 0.45 98.99 0.54 0.00 0.00 0.00 36 K H H 113.11 6.43 20.53 27.73 91.29 51.56 -65.79 -33.58 2.44 0.00 97.56 0.03 0.04 2.59 96.81 0.53 0.00 0.00 0.00 37 L H H 22.06 19.50 14.88 34.53 94.62 43.14 -92.12 -2.66 47.85 0.01 52.13 0.18 0.69 48.90 48.94 1.27 0.01 0.00 0.01 38 G C T 46.99 3.91 23.81 28.27 95.02 -117.55 72.53 28.02 99.91 0.00 0.08 1.63 0.62 97.71 0.03 0.01 0.00 0.00 0.00 39 F C C 14.93 23.67 11.44 34.82 119.29 144.76 -97.92 139.05 99.03 0.93 0.04 95.83 2.95 0.04 0.01 0.01 0.00 0.17 0.99 40 Y C C 98.90 7.03 23.25 30.51 110.98 -116.03 -77.63 128.36 99.77 0.18 0.05 99.46 0.29 0.07 0.01 0.02 0.00 0.05 0.09 41 P C T 52.11 16.76 14.98 31.54 92.08 -135.38 -63.84 -21.15 99.60 0.09 0.31 0.59 3.52 95.49 0.01 0.31 0.00 0.05 0.03 42 W C T 164.51 4.17 21.51 26.42 94.26 58.93 -91.23 0.19 99.55 0.14 0.31 0.79 2.56 96.18 0.01 0.34 0.00 0.08 0.03 43 M C C 26.93 16.51 14.18 31.80 116.63 120.23 -70.35 142.70 98.71 1.22 0.07 68.40 30.33 0.18 0.01 0.06 0.00 0.53 0.49 44 R E B 89.27 7.67 24.29 32.23 119.85 -126.14 -84.25 147.88 18.92 81.03 0.04 15.60 0.30 0.01 0.04 0.01 0.00 5.35 78.70 45 M H G 12.93 24.65 13.56 38.35 91.15 -114.59 -57.78 -36.98 7.34 0.08 92.58 0.52 0.61 4.75 0.49 93.57 0.00 0.06 0.00 46 H H G 111.22 8.38 19.93 29.07 90.27 59.74 -67.68 -17.60 6.61 0.02 93.36 0.13 0.31 5.03 0.30 94.22 0.00 0.01 0.00 47 Q H G 113.62 3.82 21.20 25.39 94.35 55.94 -91.39 -6.21 7.31 0.03 92.66 0.34 0.59 4.75 0.37 93.93 0.00 0.01 0.00 48 L C S 11.42 24.14 7.84 30.48 117.50 104.65 -76.81 140.47 99.00 0.45 0.56 46.53 52.03 0.34 0.21 0.20 0.00 0.07 0.60 49 S C C 57.78 2.52 21.04 22.40 121.29 -123.25 -77.66 163.01 99.67 0.18 0.15 98.27 1.33 0.08 0.10 0.01 0.00 0.03 0.18 50 E H H 128.92 5.52 13.86 21.35 91.23 -101.63 -57.71 -38.39 1.36 0.00 98.64 0.24 0.22 0.68 98.66 0.20 0.00 0.00 0.00 51 P H H 92.72 1.59 18.94 19.25 91.52 53.22 -63.78 -39.53 0.55 0.00 99.45 0.05 0.04 0.38 99.30 0.23 0.00 0.00 0.00 52 Q H H 46.71 13.48 16.60 30.50 92.10 48.98 -66.04 -40.42 0.18 0.00 99.82 0.03 0.01 0.11 99.64 0.21 0.00 0.00 0.00 53 I H H 16.89 20.40 15.16 35.45 91.70 50.86 -63.05 -42.89 0.06 0.00 99.94 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 54 M H H 98.91 3.68 22.64 26.05 91.50 50.60 -63.76 -40.92 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 55 S H H 49.44 4.96 22.38 27.50 91.44 50.69 -64.52 -41.50 0.12 0.00 99.88 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 56 I H H 6.44 22.80 17.08 40.03 91.75 49.71 -64.60 -42.57 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.03 0.00 0.00 0.00 57 A H H 30.32 14.47 19.51 33.90 91.59 52.72 -62.25 -41.72 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 58 S H H 64.75 1.97 23.35 23.38 91.67 50.74 -64.37 -41.04 0.25 0.00 99.75 0.01 0.01 0.19 99.65 0.14 0.00 0.00 0.00 59 E H H 55.36 11.00 18.85 30.63 92.18 49.62 -65.90 -40.32 0.61 0.00 99.39 0.03 0.02 0.50 99.12 0.34 0.00 0.00 0.00 60 L H H 12.87 22.79 13.13 35.47 91.90 51.65 -66.81 -34.59 3.25 0.00 96.74 0.23 0.17 2.58 95.79 1.22 0.00 0.00 0.00 61 S H H 70.31 5.99 17.55 24.77 91.00 59.96 -68.63 -22.21 35.85 0.04 64.11 1.42 1.36 32.03 63.32 1.81 0.01 0.01 0.03 62 T C T 103.99 1.61 18.85 19.65 95.32 50.80 -88.90 -10.52 64.92 0.10 34.97 3.64 4.98 53.92 35.04 2.30 0.01 0.04 0.08 63 M C C 44.99 18.08 9.87 26.97 115.92 94.78 -86.54 135.43 91.60 1.11 7.29 54.01 31.31 6.04 5.79 1.76 0.00 0.41 0.67 64 T C C 87.63 4.29 19.57 24.70 115.86 -146.92 -99.65 129.40 87.03 9.54 3.43 82.68 2.66 1.92 2.52 0.81 0.00 5.30 4.12 65 I C C 48.01 18.23 11.39 28.59 112.36 -163.79 -98.49 119.42 77.32 13.29 9.39 65.35 7.04 3.69 8.57 1.84 0.01 6.92 6.58 66 E C H 110.52 6.31 16.27 23.37 108.73 -101.38 -78.62 129.30 55.06 3.96 40.98 30.77 11.07 13.79 35.78 4.93 0.06 2.40 1.19 67 G C H 44.50 3.57 17.46 21.39 112.50 32.86 80.68 -142.86 50.39 1.34 48.27 18.14 14.35 19.40 41.74 5.10 0.08 0.64 0.56 68 D H H 86.03 4.86 18.32 23.60 98.91 -20.25 -75.38 -13.18 35.44 0.78 63.78 22.29 5.19 8.74 59.12 3.95 0.01 0.39 0.31 69 A H H 17.06 18.73 13.44 31.74 93.69 63.01 -64.39 -38.87 9.56 0.14 90.29 5.23 1.49 3.22 88.29 1.67 0.00 0.07 0.05 70 R H H 105.93 10.76 18.69 29.55 91.97 53.82 -63.37 -40.58 3.94 0.07 95.99 2.01 0.54 1.51 94.93 0.96 0.00 0.04 0.02 71 A H H 52.75 3.15 21.26 24.02 91.83 50.92 -64.59 -41.16 2.41 0.05 97.54 1.26 0.31 0.93 96.83 0.63 0.00 0.02 0.01 72 I H H 59.84 8.69 20.21 29.76 92.14 49.80 -64.88 -42.11 1.43 0.03 98.53 0.74 0.17 0.54 98.25 0.27 0.00 0.02 0.01 73 V H H 15.61 20.01 16.80 36.65 91.67 49.64 -63.99 -43.21 0.85 0.01 99.14 0.38 0.08 0.34 99.06 0.13 0.00 0.00 0.00 74 K H H 101.51 7.76 21.33 29.59 91.54 50.63 -62.73 -41.82 0.42 0.00 99.57 0.12 0.03 0.20 99.56 0.07 0.00 0.00 0.00 75 D H H 83.99 2.35 23.83 24.80 91.64 49.24 -64.79 -41.04 0.32 0.00 99.68 0.06 0.02 0.18 99.68 0.05 0.00 0.00 0.00 76 N H H 33.41 14.04 20.05 34.31 92.01 49.92 -65.08 -41.48 0.34 0.00 99.66 0.04 0.02 0.21 99.68 0.05 0.00 0.00 0.00 77 I H H 16.89 19.09 17.87 37.03 91.76 49.99 -64.22 -42.43 0.23 0.00 99.77 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 78 A H H 51.65 3.92 22.81 26.56 91.32 51.02 -63.04 -41.50 0.27 0.00 99.73 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 79 L H H 67.87 4.93 21.29 26.74 91.60 50.16 -64.33 -41.38 0.65 0.00 99.35 0.04 0.03 0.50 99.33 0.10 0.00 0.00 0.00 80 K H H 27.30 17.37 14.80 32.32 91.89 51.18 -64.39 -40.92 0.67 0.00 99.33 0.08 0.04 0.45 99.13 0.31 0.00 0.00 0.00 81 R H H 113.12 10.00 16.71 27.17 91.93 51.75 -63.58 -40.09 1.00 0.00 99.00 0.10 0.05 0.72 98.47 0.65 0.00 0.00 0.00 82 K H H 157.42 1.15 19.21 19.08 91.84 50.86 -66.80 -33.32 3.59 0.00 96.41 0.14 0.17 3.10 96.07 0.51 0.00 0.00 0.00 83 I H H 83.61 7.27 15.65 24.03 94.56 47.34 -87.56 -11.66 19.41 0.04 80.54 0.70 1.64 16.77 80.34 0.49 0.02 0.01 0.03 84 G C T 40.60 6.20 18.63 25.79 97.89 -109.66 83.08 15.45 98.98 0.12 0.89 27.08 9.49 62.57 0.57 0.18 0.00 0.05 0.05 85 S C C 20.75 14.97 15.01 30.66 122.66 150.16 -84.40 159.02 95.09 1.91 3.00 76.22 17.20 0.98 2.88 0.37 0.00 0.39 1.95 86 Y H H 90.29 11.50 21.45 33.38 92.45 -114.30 -63.55 -35.62 12.74 0.12 87.14 2.91 3.85 6.44 85.31 1.34 0.05 0.04 0.08 87 S H H 29.42 14.61 20.32 34.75 92.27 55.05 -63.85 -42.04 6.77 0.04 93.19 0.92 0.87 4.67 92.06 1.42 0.03 0.02 0.02 88 G H H 10.11 12.48 18.45 32.49 92.08 50.95 -63.60 -42.27 4.21 0.04 95.75 1.09 0.53 2.43 94.00 1.90 0.01 0.02 0.01 89 M H H 66.70 7.64 21.18 29.59 92.12 49.78 -64.84 -41.96 1.71 0.03 98.26 0.44 0.23 0.97 97.10 1.24 0.01 0.01 0.01 90 R H H 53.07 11.09 17.35 29.65 92.22 49.51 -65.05 -41.97 2.06 0.04 97.90 0.40 0.22 1.34 96.44 1.54 0.02 0.02 0.01 91 H H H 61.79 12.05 15.44 28.14 92.50 49.06 -64.98 -41.41 2.65 0.03 97.32 0.38 0.21 1.89 95.29 2.19 0.01 0.02 0.01 92 T H H 76.32 6.86 16.70 24.63 91.61 52.28 -66.53 -31.28 9.17 0.03 90.80 0.44 0.48 8.16 89.16 1.70 0.02 0.01 0.02 93 L C T 90.74 5.05 15.54 21.81 94.27 48.13 -91.03 3.64 77.73 0.07 22.20 0.80 2.29 73.77 21.66 1.38 0.00 0.02 0.07 94 H C T 154.19 2.27 16.65 19.81 92.92 -115.41 63.37 31.95 99.24 0.02 0.74 2.99 2.02 94.39 0.50 0.09 0.00 0.01 0.01 95 L C C 53.28 11.15 11.26 23.89 118.42 150.27 -89.81 139.30 99.73 0.20 0.07 90.70 8.90 0.15 0.04 0.02 0.00 0.06 0.14 96 P C C 74.14 5.41 18.57 24.68 112.00 -104.66 -66.70 143.08 98.81 0.74 0.46 92.32 5.41 1.06 0.15 0.23 0.00 0.27 0.55 97 V C C 48.01 16.81 11.20 27.06 115.45 -165.94 -108.05 131.47 84.33 13.45 2.23 70.60 9.54 2.32 1.14 0.99 0.00 3.12 12.29 98 R C T 144.56 5.21 16.18 22.42 107.10 -3.51 -79.11 114.35 86.13 5.24 8.63 25.25 25.51 36.10 3.82 4.20 0.02 2.67 2.44 99 G C T 43.51 6.53 14.11 21.58 102.70 -0.26 80.34 2.31 86.73 2.23 11.04 20.20 27.08 40.16 5.04 5.24 0.02 1.06 1.21 100 Q C C 98.83 6.99 13.21 21.40 104.46 117.60 -82.01 -12.60 76.06 2.21 21.72 36.18 24.98 15.42 14.82 6.23 0.03 0.87 1.48 101 H C C 117.77 5.20 14.79 21.09 102.01 60.88 -87.21 27.70 71.06 2.11 26.83 45.21 14.72 11.21 21.79 4.93 0.01 0.91 1.21 102 T H H 55.85 10.33 12.83 23.97 99.27 107.19 -73.80 -32.45 49.17 1.50 49.33 31.20 10.51 8.43 43.40 5.06 0.02 0.68 0.70 103 R H H 137.30 5.76 15.62 22.49 95.05 56.19 -67.78 -35.00 38.10 0.95 60.94 19.75 9.10 10.80 54.52 4.93 0.04 0.47 0.40 104 N H H 89.52 4.02 17.15 21.71 96.26 52.36 -73.75 -32.51 38.86 0.84 60.31 21.10 8.25 10.69 54.69 4.50 0.03 0.39 0.36 105 N H H 63.93 9.11 15.68 25.69 96.00 53.40 -72.81 -27.81 35.07 0.74 64.19 22.21 6.52 7.29 59.88 3.44 0.01 0.33 0.31 106 A H H 32.85 12.85 13.96 27.32 94.83 61.68 -67.99 -37.02 24.68 0.58 74.74 16.03 4.31 5.52 70.19 3.45 0.01 0.29 0.20 107 K H H 120.13 3.16 19.33 22.50 93.22 56.61 -66.73 -38.74 20.75 0.62 78.63 12.42 3.74 5.90 73.63 3.75 0.01 0.34 0.20 108 T H H 59.25 4.98 18.01 23.92 93.68 50.95 -68.45 -38.78 21.20 0.68 78.11 12.39 3.77 6.46 72.68 4.08 0.02 0.37 0.23 109 A H H 23.45 14.12 13.36 28.20 93.34 56.17 -66.15 -39.02 19.45 0.52 80.03 11.26 3.60 5.83 74.25 4.59 0.01 0.28 0.18 110 R H H 121.52 6.94 16.47 24.39 92.86 52.99 -65.63 -38.15 20.57 0.65 78.78 10.81 3.80 7.29 71.53 5.94 0.02 0.37 0.23 111 K H H 134.70 1.98 17.31 18.95 93.26 53.13 -68.33 -35.50 25.22 0.72 74.06 12.60 4.60 9.26 66.26 6.58 0.03 0.38 0.29 112 L H H 79.61 7.48 14.11 22.75 95.72 51.56 -75.80 -26.79 34.48 0.76 64.75 16.08 6.51 13.02 57.66 5.96 0.04 0.36 0.37 113 N C H 60.40 12.19 11.09 23.44 103.71 64.52 -88.00 28.11 54.97 0.85 44.19 28.50 9.64 17.10 39.33 4.60 0.01 0.35 0.47 114 K C C 142.71 3.01 14.42 18.43 101.18 138.06 -79.49 9.96 61.40 1.19 37.41 34.61 13.53 13.63 31.36 5.69 0.01 0.49 0.66 115 I C C 90.55 6.99 10.70 19.08 111.72 111.52 -91.07 131.98 59.92 1.49 38.59 31.36 14.37 14.98 29.04 8.76 0.02 0.68 0.80 116 D C C 99.50 3.80 12.15 17.49 107.99 -128.78 -84.24 113.35 66.63 1.49 31.88 40.62 9.39 16.75 23.13 8.56 0.00 0.75 0.79 117 R C C 142.16 6.39 9.01 16.80 104.27 130.22 -87.66 15.99 75.39 1.72 22.89 50.14 9.39 15.91 16.44 6.25 0.00 0.85 1.01 118 R C C 169.31 2.37 10.34 14.27 104.67 94.41 -86.95 68.42 90.39 0.97 8.64 76.08 2.30 12.55 6.69 1.34 0.00 0.47 0.56 119 G C C 51.19 3.40 12.78 17.64 111.59 -45.94 83.84 -4.96 99.92 0.04 0.04 98.46 0.52 0.97 0.02 0.01 0.00 0.02 0.01