# 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 A C C 23.85 18.75 17.00 35.03 121.56 -157.62 -96.32 140.02 99.73 0.22 0.05 99.60 0.15 0.07 0.03 0.01 0.00 0.12 0.03 1 R C C 121.29 7.77 20.38 28.94 122.56 -155.05 -113.17 134.49 57.06 41.89 1.06 53.67 1.95 0.67 0.69 0.39 0.00 26.74 15.89 2 I E B 27.33 20.09 12.56 32.05 116.62 -155.23 -108.59 124.34 31.86 65.47 2.67 20.06 6.36 2.20 1.77 1.16 0.07 32.78 35.60 3 A C T 53.28 11.77 15.61 27.84 95.66 -20.99 51.63 48.74 95.47 1.78 2.75 1.44 4.00 90.69 0.35 1.86 0.00 1.12 0.55 4 G C T 58.76 2.29 17.76 20.18 95.17 -46.69 81.90 2.56 98.18 0.41 1.40 1.46 4.50 92.40 0.12 1.15 0.00 0.28 0.09 5 I E E 43.08 15.65 10.81 26.69 120.18 117.55 -104.57 135.01 42.07 56.95 0.98 28.01 11.19 2.57 0.50 0.67 0.02 31.18 25.86 6 N C C 111.54 2.81 20.82 23.83 107.89 -136.20 -90.40 108.48 74.37 25.45 0.18 66.62 5.58 1.26 0.06 0.16 0.00 22.18 4.14 7 I C C 19.65 22.28 9.81 31.15 117.23 -166.45 -102.75 128.21 96.19 3.67 0.14 93.31 3.01 0.20 0.05 0.07 0.00 2.61 0.75 8 P C C 61.23 5.91 18.86 25.68 113.25 -113.12 -67.09 147.63 96.50 1.07 2.44 88.83 3.38 4.20 0.29 2.26 0.00 0.66 0.38 9 D C T 92.69 8.33 15.53 24.76 97.90 -115.81 -71.74 -12.09 93.81 0.71 5.48 8.47 31.32 53.74 0.45 5.33 0.00 0.40 0.28 10 H C T 112.62 7.73 17.77 26.13 101.67 62.36 -89.25 20.83 85.32 8.49 6.18 22.12 16.42 47.53 0.70 5.67 0.01 6.64 0.90 11 K C C 75.56 13.72 17.21 30.78 114.19 127.48 -86.98 132.23 73.80 23.92 2.28 58.83 13.51 1.52 1.09 1.26 0.00 19.06 4.73 12 H E B 64.13 13.88 23.36 36.51 113.50 -127.34 -82.95 135.90 31.23 66.92 1.85 28.80 1.11 0.32 1.73 0.27 0.00 26.49 41.29 13 A H H 3.63 26.07 19.94 45.69 93.73 -134.07 -64.48 -36.74 21.21 1.21 77.58 6.71 3.11 11.80 73.82 3.46 0.09 0.81 0.21 14 V H H 22.86 20.60 23.44 42.66 91.43 58.76 -63.75 -39.68 7.59 0.33 92.08 1.51 1.04 5.16 87.75 4.16 0.09 0.21 0.07 15 I H H 53.07 10.49 27.34 38.52 91.82 51.88 -64.57 -41.21 1.46 0.08 98.47 0.24 0.16 0.97 92.63 5.90 0.01 0.08 0.01 16 A H H 6.14 21.49 23.32 44.32 91.69 51.39 -65.14 -40.37 1.11 0.03 98.86 0.17 0.10 0.75 90.89 8.05 0.00 0.03 0.00 17 L H H 2.25 26.80 20.40 47.52 91.13 52.53 -66.42 -34.78 2.04 0.03 97.93 0.14 0.14 1.69 84.62 13.38 0.00 0.02 0.00 18 T H H 47.36 15.03 22.75 37.14 90.97 61.37 -69.46 -21.90 19.86 0.06 80.08 0.47 0.74 18.77 65.82 14.10 0.04 0.03 0.03 19 S C T 47.50 11.02 23.41 35.03 92.52 60.75 -82.90 -8.14 69.42 0.19 30.39 3.03 3.97 62.67 22.91 7.14 0.02 0.08 0.18 20 I C S 10.58 23.84 15.35 39.45 118.69 93.93 -87.74 137.68 93.55 5.33 1.13 6.97 84.10 1.73 0.86 0.11 0.00 0.76 5.47 21 Y C T 103.76 11.53 23.27 34.53 108.63 -95.06 -65.89 125.54 98.68 0.27 1.05 0.29 8.00 90.82 0.28 0.34 0.00 0.09 0.17 22 G C T 34.91 9.10 22.31 31.96 95.65 13.87 85.78 -3.49 99.56 0.06 0.38 0.61 7.17 91.91 0.13 0.13 0.00 0.03 0.02 23 V C C 8.34 24.11 12.67 36.84 117.13 112.22 -104.75 127.11 90.63 9.00 0.36 65.47 21.74 0.68 0.28 0.10 0.00 1.52 10.22 24 G C C 27.44 6.27 23.87 30.07 126.85 -157.99 -94.25 168.98 99.35 0.37 0.28 98.28 1.03 0.14 0.21 0.02 0.00 0.10 0.22 25 K H H 109.98 12.15 16.30 28.37 92.24 -98.02 -59.89 -37.89 4.17 0.01 95.82 0.58 0.66 2.39 96.08 0.29 0.00 0.00 0.00 26 T H H 91.58 2.05 23.07 24.10 91.82 52.01 -64.53 -40.99 2.35 0.00 97.65 0.32 0.23 1.50 97.66 0.27 0.00 0.00 0.00 27 R H H 77.53 12.68 21.04 33.34 92.16 48.09 -66.57 -40.52 0.43 0.00 99.57 0.10 0.03 0.21 99.51 0.15 0.00 0.00 0.00 28 S H H 2.25 25.81 15.65 41.91 91.13 51.09 -62.76 -43.00 0.11 0.00 99.89 0.02 0.01 0.04 99.91 0.02 0.00 0.00 0.00 29 K H H 98.60 9.68 23.88 33.63 91.31 51.07 -62.99 -41.18 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 30 A H H 46.34 4.77 25.75 30.76 91.55 50.89 -63.88 -42.65 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 31 I H H 6.64 22.17 20.97 43.02 91.60 48.92 -64.30 -44.09 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 32 L H H 5.80 23.87 18.24 42.08 91.42 49.99 -62.98 -43.33 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 33 A H H 67.83 4.43 22.97 27.91 91.49 50.48 -63.22 -40.80 0.15 0.00 99.85 0.00 0.00 0.12 99.82 0.06 0.00 0.00 0.00 34 A H H 59.83 7.60 20.75 29.06 90.74 52.68 -65.84 -30.52 1.84 0.00 98.16 0.02 0.02 1.96 97.87 0.13 0.00 0.00 0.00 35 A C T 14.71 19.67 14.93 34.80 92.80 49.72 -88.09 -3.72 62.26 0.01 37.73 0.12 0.46 62.53 36.47 0.41 0.00 0.00 0.01 36 G C T 52.44 2.54 23.37 25.91 94.60 -112.13 76.13 20.28 99.90 0.00 0.09 0.72 0.49 98.75 0.03 0.01 0.00 0.00 0.00 37 I C C 13.32 23.16 10.80 33.51 120.44 138.32 -101.56 139.02 99.18 0.75 0.07 96.56 2.47 0.07 0.03 0.02 0.00 0.18 0.67 38 A C C 52.46 4.66 23.20 27.60 115.61 -112.46 -72.56 146.04 99.27 0.54 0.19 98.73 0.49 0.19 0.03 0.08 0.00 0.17 0.30 39 E C T 89.06 15.80 13.49 28.67 92.66 -124.24 -64.05 -25.88 99.34 0.26 0.41 1.19 5.98 92.21 0.04 0.34 0.00 0.14 0.09 40 D C T 114.22 1.75 20.65 21.96 94.72 56.17 -90.50 2.65 99.40 0.30 0.30 1.68 4.89 92.80 0.02 0.33 0.00 0.24 0.03 41 V C C 25.52 15.65 13.05 29.89 116.07 124.04 -72.54 140.18 98.87 1.08 0.04 68.57 30.32 0.14 0.01 0.03 0.00 0.61 0.32 42 K E B 85.99 6.05 24.02 30.34 116.00 -119.46 -78.79 143.19 30.01 69.95 0.04 27.12 0.33 0.01 0.03 0.00 0.00 5.02 67.47 43 I H G 10.37 24.96 12.62 37.91 91.22 -119.65 -58.10 -36.55 6.56 0.06 93.39 0.40 0.48 4.52 0.52 94.03 0.00 0.04 0.00 44 S H G 65.45 7.97 19.59 28.48 89.69 62.70 -68.32 -18.83 6.10 0.02 93.88 0.10 0.25 4.90 0.35 94.40 0.00 0.01 0.00 45 E H G 125.77 2.95 21.17 24.17 94.03 55.32 -92.99 -3.46 6.82 0.02 93.16 0.29 0.54 4.56 0.39 94.21 0.00 0.01 0.00 46 L C C 13.50 23.65 7.45 29.35 118.24 107.84 -75.55 141.43 99.12 0.46 0.43 60.82 37.93 0.25 0.18 0.16 0.00 0.08 0.58 47 S C C 59.73 2.29 21.35 22.24 123.35 -128.50 -82.86 165.85 99.22 0.37 0.40 97.85 1.24 0.07 0.36 0.02 0.00 0.06 0.39 48 E H H 134.63 4.79 13.87 20.82 90.85 -100.93 -57.88 -37.51 1.60 0.00 98.39 0.17 0.22 1.09 97.97 0.55 0.00 0.00 0.00 49 G H H 47.71 1.47 18.97 19.00 91.54 53.45 -63.59 -39.74 1.01 0.00 98.99 0.09 0.08 0.75 98.30 0.78 0.00 0.00 0.00 50 Q H H 48.84 13.23 16.75 30.35 92.22 49.16 -66.72 -39.98 0.37 0.00 99.63 0.07 0.03 0.22 99.10 0.58 0.00 0.00 0.00 51 I H H 12.97 20.92 14.63 35.60 91.47 51.77 -62.79 -43.17 0.11 0.00 99.89 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 52 D H H 78.76 3.09 23.00 25.49 91.34 50.99 -63.72 -40.82 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 53 T H H 58.29 5.12 22.14 27.60 91.43 50.37 -64.31 -41.54 0.19 0.00 99.81 0.02 0.00 0.14 99.80 0.04 0.00 0.00 0.00 54 L H H 4.64 24.14 16.09 40.49 91.64 50.25 -64.01 -42.65 0.16 0.00 99.84 0.02 0.01 0.10 99.83 0.05 0.00 0.00 0.00 55 R H H 91.94 13.84 20.10 33.15 91.40 52.37 -61.72 -41.79 0.12 0.00 99.87 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 56 D H H 91.68 1.62 23.59 22.99 91.86 49.70 -64.64 -40.78 0.29 0.00 99.71 0.02 0.01 0.22 99.58 0.17 0.00 0.00 0.00 57 E H H 47.51 11.22 18.75 30.94 92.04 49.69 -65.28 -41.33 0.79 0.00 99.21 0.04 0.03 0.67 98.86 0.41 0.00 0.00 0.00 58 V H H 9.89 23.02 13.19 35.87 91.95 50.91 -66.06 -37.57 3.62 0.01 96.38 0.29 0.22 2.92 95.01 1.56 0.00 0.00 0.00 59 A H H 65.37 6.29 17.64 25.10 90.90 59.24 -68.16 -22.87 34.95 0.05 65.00 1.26 1.15 32.01 63.07 2.44 0.02 0.02 0.04 60 K C T 148.51 1.63 19.23 20.05 94.49 53.18 -85.05 -12.38 63.13 0.12 36.76 3.30 3.28 54.47 35.90 2.91 0.01 0.05 0.08 61 F C C 50.62 17.65 10.99 27.97 115.52 85.79 -96.71 126.93 89.63 2.74 7.63 60.35 21.95 6.98 6.34 1.85 0.00 1.57 0.95 62 V C C 94.63 5.34 19.32 26.00 117.34 -157.36 -105.04 127.89 80.32 17.62 2.06 76.90 2.20 1.37 1.48 0.54 0.00 13.28 4.22 63 V C C 32.38 19.39 10.30 28.84 120.48 -165.68 -108.61 133.65 72.64 25.38 1.98 67.18 3.42 1.25 1.51 0.64 0.00 18.91 7.08 64 E C C 135.06 2.80 18.05 21.65 116.08 -142.76 -96.47 135.19 78.52 15.96 5.52 58.65 13.18 6.30 3.90 1.84 0.02 13.83 2.28 65 G C S 37.35 4.88 16.71 22.74 130.68 43.56 130.19 -174.49 83.37 6.71 9.91 25.94 45.67 12.38 7.09 2.69 0.06 4.46 1.70 66 D C C 84.48 4.44 18.40 23.28 106.43 -43.49 -84.64 100.20 84.46 2.29 13.25 72.76 4.81 6.12 12.00 2.11 0.00 1.30 0.90 67 L H H 34.65 18.75 12.31 30.78 94.42 -168.03 -65.29 -34.36 12.28 0.14 87.58 8.06 1.66 3.16 85.54 1.46 0.00 0.06 0.05 68 R H H 118.31 9.25 17.63 27.56 91.41 56.59 -62.35 -40.96 3.15 0.03 96.83 1.13 0.42 1.56 95.76 1.10 0.00 0.02 0.01 69 R H H 141.55 2.29 20.68 22.38 92.13 49.12 -65.85 -40.15 1.66 0.02 98.31 0.70 0.21 0.76 97.32 0.99 0.00 0.01 0.00 70 E H H 71.50 9.41 19.11 29.20 92.24 50.12 -65.48 -41.41 0.99 0.01 99.00 0.40 0.11 0.44 98.57 0.46 0.00 0.01 0.00 71 I H H 20.39 19.02 16.73 35.67 91.92 49.25 -64.23 -42.82 0.93 0.01 99.06 0.33 0.09 0.45 98.89 0.25 0.00 0.00 0.00 72 S H H 43.26 7.89 20.78 29.33 91.55 51.04 -63.22 -41.88 1.06 0.00 98.93 0.28 0.08 0.57 98.86 0.20 0.00 0.00 0.00 73 M H H 86.88 3.16 23.19 25.67 91.57 50.14 -64.24 -41.49 0.72 0.00 99.28 0.15 0.05 0.42 99.23 0.14 0.00 0.00 0.00 74 S H H 17.06 14.86 19.67 35.07 91.78 50.33 -64.50 -41.83 0.75 0.00 99.25 0.11 0.04 0.48 99.26 0.11 0.00 0.00 0.00 75 I H H 22.24 18.97 18.35 37.04 91.69 50.47 -63.83 -41.92 0.32 0.00 99.68 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 76 K H H 117.67 3.38 23.61 26.74 91.53 51.12 -63.39 -41.60 0.18 0.00 99.81 0.02 0.01 0.10 99.82 0.04 0.00 0.00 0.00 77 R H H 106.93 5.33 22.18 27.76 91.76 49.57 -64.62 -41.18 0.31 0.00 99.69 0.03 0.01 0.21 99.68 0.07 0.00 0.00 0.00 78 L H H 12.26 19.57 15.05 34.95 91.94 50.56 -64.00 -41.78 0.36 0.00 99.64 0.04 0.02 0.23 99.55 0.17 0.00 0.00 0.00 79 M H H 74.79 11.54 17.08 28.87 91.83 50.90 -63.74 -41.03 0.72 0.00 99.28 0.06 0.03 0.52 98.97 0.42 0.00 0.00 0.00 80 D H H 113.27 1.51 20.20 20.92 91.03 52.47 -66.25 -29.13 4.86 0.00 95.14 0.11 0.14 4.58 94.75 0.41 0.00 0.00 0.00 81 L H H 68.54 9.91 15.70 26.62 93.37 53.03 -85.05 -7.82 49.98 0.03 49.99 0.40 1.27 47.72 49.89 0.68 0.02 0.01 0.02 82 G C T 40.27 6.06 20.36 27.24 98.42 -107.66 83.24 14.90 99.37 0.04 0.59 9.32 3.74 86.43 0.37 0.09 0.00 0.02 0.02 83 C C C 20.00 17.30 14.28 32.02 119.51 150.24 -80.41 151.93 96.49 1.48 2.03 89.55 5.96 0.48 1.88 0.22 0.00 0.30 1.62 84 Y H H 101.53 10.13 21.46 32.15 92.84 -122.06 -63.64 -37.01 9.41 0.06 90.53 1.36 2.10 6.22 89.04 1.18 0.03 0.02 0.04 85 R H H 91.80 11.29 21.67 32.71 92.35 53.40 -65.08 -41.53 4.11 0.02 95.87 0.41 0.44 3.16 94.86 1.10 0.01 0.01 0.01 86 G H H 7.78 13.23 17.72 32.63 91.91 51.11 -63.82 -42.39 2.68 0.02 97.29 0.59 0.30 1.65 95.83 1.60 0.00 0.01 0.00 87 L H H 41.41 9.31 19.39 30.13 91.84 50.14 -64.29 -42.09 1.83 0.02 98.15 0.43 0.24 1.05 97.20 1.06 0.00 0.01 0.00 88 R H H 69.06 8.88 17.66 27.88 92.26 50.04 -64.55 -42.12 2.11 0.03 97.86 0.48 0.27 1.28 96.90 1.03 0.01 0.02 0.01 89 H H H 71.61 10.81 15.34 26.93 92.36 49.78 -65.26 -40.94 2.33 0.02 97.65 0.33 0.17 1.64 95.80 2.03 0.00 0.01 0.00 90 R H H 130.70 6.95 16.09 24.25 91.69 50.79 -66.80 -31.84 8.03 0.02 91.95 0.36 0.40 7.16 90.11 1.92 0.02 0.01 0.01 91 R C T 135.45 4.35 15.32 20.68 93.89 48.89 -90.30 0.52 62.09 0.03 37.88 0.50 1.34 60.79 35.49 1.83 0.01 0.01 0.04 92 G C T 57.08 2.03 16.27 18.72 95.19 -108.36 80.39 14.63 99.61 0.01 0.39 1.89 1.44 96.42 0.20 0.05 0.00 0.00 0.00 93 L C C 56.96 10.25 10.74 22.62 117.04 145.06 -87.56 138.24 99.77 0.20 0.04 92.45 7.24 0.09 0.02 0.01 0.00 0.06 0.13 94 P C C 75.28 4.83 17.79 23.39 112.51 -104.90 -65.57 146.51 99.04 0.66 0.30 95.53 3.02 0.52 0.09 0.13 0.00 0.25 0.45 95 V C C 49.24 15.98 11.04 26.41 117.60 -143.85 -96.74 135.98 83.82 14.09 2.09 72.62 7.60 1.61 1.12 0.83 0.00 2.82 13.41 96 R C T 146.27 5.25 15.51 21.88 109.00 -94.79 -71.15 124.93 82.49 3.99 13.51 19.84 25.14 38.38 7.04 5.36 0.05 1.86 2.34 97 G C T 46.64 4.98 14.47 20.42 99.10 11.84 80.72 -1.90 80.98 1.48 17.55 15.83 23.30 42.57 10.04 6.58 0.04 0.64 1.00 98 Q C C 97.82 6.90 12.95 21.08 98.75 102.92 -78.13 -22.28 65.48 1.80 32.71 30.82 19.10 16.69 23.55 7.96 0.04 0.74 1.11 99 R C C 142.15 4.96 14.24 20.39 98.85 62.06 -78.76 -15.99 58.21 2.50 39.29 34.08 12.81 12.26 32.27 6.20 0.04 1.16 1.20 100 T H H 63.95 8.01 12.50 21.74 108.43 79.90 -91.05 66.03 47.30 2.17 50.53 28.78 10.70 9.18 43.35 5.99 0.04 1.10 0.86 101 K H H 123.37 5.35 14.66 21.09 98.51 -129.17 -73.57 -28.34 43.56 1.56 54.88 24.39 10.29 10.35 48.02 5.51 0.04 0.79 0.61 102 T H H 67.92 6.33 14.34 21.89 101.38 59.38 -79.25 -29.21 44.86 1.23 53.90 24.73 10.04 11.29 47.46 5.32 0.03 0.58 0.54 103 N H H 72.15 7.22 14.22 22.64 98.40 56.63 -73.81 -27.58 44.83 1.07 54.10 25.23 9.42 11.68 46.35 6.28 0.03 0.49 0.51 104 A H H 48.09 9.31 12.28 22.70 95.17 66.17 -69.24 -27.62 44.05 1.11 54.84 22.26 9.04 14.18 43.96 9.45 0.04 0.55 0.51 105 R H H 146.00 4.17 14.21 19.70 96.18 62.57 -73.72 -20.27 49.18 1.63 49.19 25.34 10.45 14.98 38.66 8.98 0.05 0.80 0.75 106 T C C 87.86 4.09 13.43 18.69 99.64 52.87 -90.50 -2.89 59.76 2.38 37.86 32.07 13.39 15.71 29.39 7.10 0.04 1.06 1.23 107 R C C 120.36 7.87 9.68 18.84 114.87 103.93 -86.53 134.33 81.27 1.98 16.75 49.57 20.30 11.12 13.53 3.47 0.00 0.81 1.20 108 K C C 160.30 1.64 12.64 15.19 107.09 -152.34 -89.31 86.98 89.66 2.45 7.89 56.51 23.11 9.88 5.60 2.25 0.00 1.02 1.63 109 G C C 35.51 6.28 10.17 17.98 129.29 -112.06 -113.60 175.31 96.94 1.74 1.32 51.56 41.95 3.60 0.49 0.72 0.00 0.77 0.90 110 P C C 98.48 3.22 12.05 16.73 110.28 -62.34 -69.47 141.55 95.88 1.47 2.64 64.00 18.82 12.82 0.52 2.34 0.00 0.81 0.68 111 R C C 159.23 4.20 9.44 15.66 112.45 -127.14 -89.31 128.63 94.37 3.00 2.63 65.27 20.61 8.16 0.64 2.06 0.00 1.44 1.81 112 K C C 142.22 2.58 10.57 14.97 117.78 -129.28 -94.45 138.39 97.04 2.02 0.93 64.10 31.37 1.78 0.33 0.55 0.00 1.07 0.81 113 P C C 97.58 3.75 9.86 15.64 113.21 -105.61 -66.35 145.63 96.03 2.51 1.46 79.74 11.58 4.75 0.39 1.02 0.00 1.67 0.84 114 I C C 111.26 5.77 7.69 15.08 111.07 -120.98 -85.00 129.47 92.66 5.87 1.48 87.73 2.15 3.34 0.49 0.61 0.00 3.18 2.51 115 K C C 154.79 2.16 12.41 15.89 113.35 -146.60 -94.73 126.29 99.65 0.33 0.02 99.39 0.24 0.13 0.00 0.00 0.00 0.20 0.04