#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7y s HIS 2 N 0.00 0.14 -0.00 1.12 3.76 -1.24 -3.19 115.29 115.88 2a7y s HIS 2 Ca 0.00 -0.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2a7y s HIS 2 Cb 0.00 -0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.60 2a7y s HIS 2 CO 0.00 -0.01 -0.02 0.00 -0.85 0.00 0.00 174.74 173.86 2a7y s ALA 3 N -0.11 0.19 0.00 -1.40 0.00 -1.24 -4.88 121.76 114.31 2a7y s ALA 3 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2a7y s ALA 3 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 2a7y s ALA 3 CO -0.00 0.04 -0.02 0.15 0.00 0.00 0.00 175.76 175.92 2a7y s LYS 4 N -0.12 0.18 0.23 0.00 -0.14 -1.26 -4.94 119.74 113.69 2a7y s LYS 4 Ca 0.00 -0.11 -0.30 0.00 -1.36 0.00 0.00 55.97 54.20 2a7y s LYS 4 Cb -0.01 -0.15 -0.09 0.00 -1.68 0.00 0.00 37.83 35.90 2a7y s LYS 4 CO -0.00 0.04 1.26 0.08 -0.76 0.00 0.00 175.35 175.97 2a7y s VAL 5 N -0.14 3.21 0.00 3.17 1.01 -1.25 -2.72 120.40 123.67 2a7y s VAL 5 Ca -0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2a7y s VAL 5 Cb -0.01 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2a7y s VAL 5 CO -0.00 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2a7y n GLY 6 N 1.87 0.73 2.94 4.51 0.00 0.23 -4.99 105.19 110.49 2a7y n GLY 6 Ca 0.04 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 2a7y n GLY 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a7y s ASP 7 N -2.33 0.26 0.00 1.61 1.01 -1.10 -4.86 116.67 111.25 2a7y s ASP 7 Ca 0.00 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.05 2a7y s ASP 7 Cb 0.00 0.02 -0.01 0.00 1.01 0.00 0.00 42.92 43.95 2a7y s ASP 7 CO 0.00 -0.11 -0.07 -0.31 0.21 0.00 0.00 175.17 174.89 2a7y s TYR 8 N -0.62 0.62 -0.00 4.23 2.02 -0.83 -1.29 117.35 121.48 2a7y s TYR 8 Ca -0.06 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2a7y s TYR 8 Cb -0.04 -0.39 -0.00 0.00 -0.40 0.00 0.00 41.96 41.12 2a7y s TYR 8 CO -0.00 -0.02 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.75 2a7y s LEU 9 N -0.42 1.97 0.00 -1.29 0.20 0.47 -0.18 118.68 119.44 2a7y s LEU 9 Ca 0.01 -0.08 0.00 0.00 0.69 0.00 0.00 54.13 54.75 2a7y s LEU 9 Cb -0.04 -0.22 -0.00 0.00 -0.43 0.00 0.00 46.19 45.50 2a7y s LEU 9 CO -0.00 0.05 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.40 2a7y s VAL 10 N -0.05 0.09 0.00 1.68 1.01 -1.01 -2.26 120.40 119.87 2a7y s VAL 10 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2a7y s VAL 10 Cb -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.26 2a7y s VAL 10 CO -0.00 -0.00 -0.02 0.68 0.00 0.00 0.00 175.10 175.76 2a7y s VAL 11 N -0.11 0.14 -0.40 2.92 -7.23 0.60 -0.40 120.40 115.92 2a7y s VAL 11 Ca -0.00 -0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 59.76 2a7y s VAL 11 Cb -0.01 -0.14 -0.08 0.00 0.56 0.00 0.00 36.38 36.71 2a7y s VAL 11 CO -0.00 0.01 2.33 1.17 -0.31 0.00 0.00 175.10 178.31 2a7y n LYS 12 N 2.96 1.31 -1.52 4.82 4.81 -0.80 -2.19 118.16 127.55 2a7y n LYS 12 Ca -0.13 0.23 -0.40 0.00 -0.87 0.00 0.00 58.31 57.15 2a7y n LYS 12 Cb 0.59 -3.09 -0.02 0.00 0.02 0.00 0.00 35.03 32.53 2a7y n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a7y n GLY 13 N 6.05 4.46 2.58 3.14 0.00 -1.26 -4.44 105.19 115.72 2a7y n GLY 13 Ca 0.37 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 2a7y n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2a7y n THR 14 N 3.44 0.00 -3.62 2.61 -1.04 -1.26 -4.93 114.28 109.48 2a7y n THR 14 Ca 0.71 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.58 2a7y n THR 14 Cb 0.26 -1.37 -0.07 0.00 -1.82 0.00 0.00 70.33 67.32 2a7y n THR 14 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2a7y s THR 15 N -2.14 0.00 -0.76 12.58 -1.32 -1.26 -5.05 115.64 117.68 2a7y s THR 15 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2a7y s THR 15 Cb 0.00 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.38 2a7y s THR 15 CO 0.00 0.00 2.00 1.07 -2.21 0.00 0.00 174.62 175.48 2a7y n THR 16 N 2.57 3.57 0.00 5.08 5.66 -1.26 -4.45 114.28 125.45 2a7y n THR 16 Ca -0.14 -3.78 0.00 0.00 -3.05 0.00 0.00 64.05 57.08 2a7y n THR 16 Cb 0.55 -1.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 2a7y n THR 16 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2a7y n GLU 17 N -0.69 0.00 -3.14 1.09 0.00 -1.26 -4.97 120.64 111.68 2a7y n GLU 17 Ca 0.57 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 57.30 2a7y n GLU 17 Cb 0.42 -0.12 -0.07 0.00 0.00 0.00 0.00 31.44 31.67 2a7y n GLU 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2a7y s ARG 18 N -0.96 3.22 -0.19 5.31 6.06 -1.26 -5.01 118.95 126.13 2a7y s ARG 18 Ca 0.00 -0.53 -0.29 0.00 -2.50 0.00 0.00 55.73 52.41 2a7y s ARG 18 Cb 0.00 -3.99 -0.05 0.00 0.06 0.00 0.00 34.95 30.97 2a7y s ARG 18 CO 0.00 -1.06 2.00 -1.01 -2.50 0.00 0.00 175.30 172.73 2a7y s HIS 19 N 2.74 1.45 0.00 5.12 3.76 -1.26 -4.43 115.29 122.67 2a7y s HIS 19 Ca 0.20 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 2a7y s HIS 19 Cb -0.16 -4.03 0.00 0.00 1.11 0.00 0.00 32.58 29.50 2a7y s HIS 19 CO 0.17 -4.00 0.00 -3.47 -0.85 0.00 0.00 174.74 166.59 2a7y n ASP 20 N 10.09 1.77 -3.06 1.40 -0.08 -0.93 -4.80 116.55 120.94 2a7y n ASP 20 Ca 0.25 -0.84 -0.00 0.00 -1.51 0.00 0.00 54.79 52.69 2a7y n ASP 20 Cb 0.45 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.90 2a7y n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a7y n GLN 21 N 0.00 -1.23 -3.67 -0.67 6.02 -1.21 -0.29 117.38 116.32 2a7y n GLN 21 Ca 0.00 1.36 -0.23 0.00 -0.01 0.00 0.00 57.00 58.12 2a7y n GLN 21 Cb 0.00 -2.06 -0.18 0.00 1.02 0.00 0.00 30.24 29.02 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2a7y s HIS 22 N -1.02 0.27 0.30 1.08 2.46 -1.22 -3.21 115.29 113.96 2a7y s HIS 22 Ca -0.01 -0.07 0.07 0.00 0.47 0.00 0.00 55.06 55.52 2a7y s HIS 22 Cb 0.00 -0.64 -0.03 0.00 -0.13 0.00 0.00 32.58 31.79 2a7y s HIS 22 CO 0.20 -0.34 0.25 0.00 -2.47 0.00 0.00 174.74 172.38 2a7y n ALA 23 N 5.25 0.65 -3.72 1.58 0.00 -0.96 -3.78 120.51 119.52 2a7y n ALA 23 Ca -0.05 -1.76 -0.21 0.00 0.00 0.00 0.00 53.44 51.42 2a7y n ALA 23 Cb 0.49 1.42 -0.17 0.00 0.00 0.00 0.00 19.45 21.19 2a7y n ALA 23 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2a7y s GLU 24 N -3.23 0.35 -0.38 0.00 -6.30 -0.66 -0.39 118.70 108.09 2a7y s GLU 24 Ca 0.35 0.17 -0.29 0.00 -2.50 0.00 0.00 54.97 52.71 2a7y s GLU 24 Cb 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 34.13 33.45 2a7y s GLU 24 CO 0.25 -0.26 1.10 0.96 0.02 0.00 0.00 175.26 177.32 2a7y s ILE 25 N 1.77 4.39 -1.25 -3.70 -4.36 -0.41 -0.39 121.20 117.26 2a7y s ILE 25 Ca 0.01 1.53 0.22 0.00 -0.26 0.00 0.00 60.65 62.15 2a7y s ILE 25 Cb -0.13 -4.49 -0.15 0.00 1.25 0.00 0.00 42.46 38.95 2a7y s ILE 25 CO -0.04 -0.68 1.00 2.30 0.24 0.00 0.00 174.94 177.76 2a7y n ILE 26 N 6.25 0.00 -3.80 8.37 -0.00 -1.22 -0.60 119.36 128.35 2a7y n ILE 26 Ca 0.12 -0.06 -0.17 0.00 -0.00 0.00 0.00 62.75 62.64 2a7y n ILE 26 Cb 0.48 0.98 -0.17 0.00 -0.00 0.00 0.00 39.64 40.93 2a7y n ILE 26 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2a7y s GLU 27 N -2.87 0.11 -0.29 6.28 -6.30 -0.78 -4.92 118.70 109.93 2a7y s GLU 27 Ca 0.11 0.19 -0.03 0.00 -2.50 0.00 0.00 54.97 52.73 2a7y s GLU 27 Cb 0.17 -0.43 0.10 0.00 0.00 0.00 0.00 34.13 33.97 2a7y s GLU 27 CO 0.78 -0.20 0.12 0.08 0.02 0.00 0.00 175.26 176.06 2a7y s VAL 28 N 1.35 0.16 -0.23 3.70 1.01 -1.26 -2.45 120.40 122.68 2a7y s VAL 28 Ca -0.05 -0.92 0.15 0.00 0.00 0.00 0.00 61.98 61.16 2a7y s VAL 28 Cb -0.13 -1.15 0.72 0.00 0.00 0.00 0.00 36.38 35.83 2a7y s VAL 28 CO -0.03 -0.72 1.65 -2.11 0.00 0.00 0.00 175.10 173.89 2a7y n ARG 29 N 5.15 4.18 -3.74 2.72 1.85 -1.26 -4.84 116.66 120.71 2a7y n ARG 29 Ca -0.05 -3.07 -0.38 0.00 -1.00 0.00 0.00 57.85 53.36 2a7y n ARG 29 Cb 0.42 -2.13 -0.12 0.00 -1.05 0.00 0.00 32.46 29.58 2a7y n ARG 29 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2a7y s SER 30 N -1.20 5.30 0.23 2.89 0.01 -1.26 -4.97 113.70 114.71 2a7y s SER 30 Ca 0.51 -1.03 -0.06 0.00 1.31 0.00 0.00 55.95 56.68 2a7y s SER 30 Cb 0.40 -1.88 0.22 0.00 0.21 0.00 0.00 66.02 64.96 2a7y s SER 30 CO 0.13 -0.30 1.77 0.00 0.41 0.00 0.00 173.24 175.26 2a7y h ALA 31 N 8.24 1.07 0.00 1.44 0.00 -1.92 -3.33 119.26 124.76 2a7y h ALA 31 Ca -0.25 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2a7y h ALA 31 Cb 1.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2a7y h ALA 31 CO 0.61 0.63 -1.14 -3.47 0.00 0.00 0.00 179.25 175.88 2a7y n ASP 32 N -4.26 1.89 0.00 0.00 2.03 -1.26 -4.94 116.55 110.01 2a7y n ASP 32 Ca 0.06 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.81 2a7y n ASP 32 Cb 0.22 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a7y n GLY 33 N 1.47 -0.09 3.26 0.27 0.00 -1.19 -3.68 105.19 105.23 2a7y n GLY 33 Ca -0.21 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2a7y n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a7y s SER 34 N 0.00 -0.34 0.64 1.61 0.15 -1.26 -4.31 113.70 110.18 2a7y s SER 34 Ca 0.00 0.58 -0.17 0.00 0.70 0.00 0.00 55.95 57.06 2a7y s SER 34 Cb 0.00 0.64 -0.06 0.00 -1.71 0.00 0.00 66.02 64.89 2a7y s SER 34 CO 0.00 -0.21 0.55 -0.81 1.20 0.00 0.00 173.24 173.96 2a7y n PRO 35 N 2.45 0.45 -1.69 5.44 -0.04 -1.26 -4.67 135.00 135.69 2a7y n PRO 35 Ca -0.15 0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 2a7y n PRO 35 Cb 0.57 -1.78 0.12 0.00 -0.04 0.00 0.00 33.50 32.37 2a7y n PRO 35 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2a7y n PRO 36 N -0.38 -0.50 -4.26 0.54 -0.04 -1.26 -5.07 135.00 124.04 2a7y n PRO 36 Ca 0.11 -1.74 -0.16 0.00 -0.04 0.00 0.00 63.50 61.68 2a7y n PRO 36 Cb 0.49 -0.78 -0.09 0.00 -0.04 0.00 0.00 33.50 33.07 2a7y n PRO 36 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2a7y s TYR 37 N -2.74 1.43 -0.12 0.54 2.02 -0.92 -4.62 117.35 112.94 2a7y s TYR 37 Ca 0.53 -1.44 -0.03 0.00 -0.37 0.00 0.00 57.07 55.75 2a7y s TYR 37 Cb -0.02 -0.68 0.05 0.00 -0.40 0.00 0.00 41.96 40.90 2a7y s TYR 37 CO 0.36 -0.66 0.05 0.08 -1.57 0.00 0.00 175.55 173.81 2a7y s VAL 38 N -3.83 0.15 0.14 0.71 1.01 -1.03 -2.29 120.40 115.26 2a7y s VAL 38 Ca 0.39 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.31 2a7y s VAL 38 Cb 0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2a7y s VAL 38 CO 0.17 -0.04 0.05 0.54 0.00 0.00 0.00 175.10 175.82 2a7y s VAL 39 N 2.05 0.24 -0.03 2.92 0.11 -0.03 -1.86 120.40 123.79 2a7y s VAL 39 Ca 0.03 -1.93 -0.00 0.00 -2.93 0.00 0.00 61.98 57.15 2a7y s VAL 39 Cb -0.15 -2.08 0.03 0.00 -1.53 0.00 0.00 36.38 32.65 2a7y s VAL 39 CO -0.07 -0.45 0.02 -0.60 -3.33 0.00 0.00 175.10 170.67 2a7y s ARG 40 N -4.02 0.16 -1.13 1.54 3.52 0.48 -0.34 118.95 119.15 2a7y s ARG 40 Ca 0.25 0.16 -0.17 0.00 -0.13 0.00 0.00 55.73 55.84 2a7y s ARG 40 Cb 0.07 -0.45 0.13 0.00 -1.56 0.00 0.00 34.95 33.14 2a7y s ARG 40 CO 0.03 -0.19 1.41 -1.58 -0.81 0.00 0.00 175.30 174.15 2a7y s TRP 41 N 1.30 3.18 0.03 5.12 0.51 -0.57 -1.65 118.94 126.86 2a7y s TRP 41 Ca -0.06 -1.72 -0.22 0.00 -2.12 0.00 0.00 56.10 51.98 2a7y s TRP 41 Cb -0.13 -4.42 -0.12 0.00 -0.81 0.00 0.00 33.47 27.99 2a7y s TRP 41 CO -0.03 -1.55 1.31 -0.07 -0.51 0.00 0.00 176.95 176.11 2a7y h LEU 42 N 10.70 -0.66 -1.69 2.99 3.38 -1.92 0.54 115.31 128.65 2a7y h LEU 42 Ca 0.28 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2a7y h LEU 42 Cb 0.93 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2a7y h LEU 42 CO 1.26 -0.47 0.20 -0.37 0.09 0.00 0.00 178.44 179.15 2a7y h VAL 43 N -0.79 1.08 0.46 1.22 -1.51 -1.94 -1.72 116.25 113.05 2a7y h VAL 43 Ca -0.08 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 65.21 2a7y h VAL 43 Cb 0.60 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 2a7y h VAL 43 CO 0.13 0.08 -0.22 0.78 -1.23 0.00 0.00 177.57 177.11 2a7y h ASN 44 N 0.42 -0.52 0.00 4.19 -0.26 -1.85 -3.49 115.58 114.06 2a7y h ASN 44 Ca 0.11 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2a7y h ASN 44 Cb -0.04 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 2a7y h ASN 44 CO -0.02 -0.37 0.00 0.61 -1.06 0.00 0.00 177.43 176.59 2a7y n GLY 45 N -1.23 1.02 3.23 2.83 0.00 0.18 -5.12 105.19 106.10 2a7y n GLY 45 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2a7y n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a7y s HIS 46 N -1.87 1.29 -0.03 1.61 5.04 -0.79 -5.04 115.29 115.51 2a7y s HIS 46 Ca 0.00 -1.39 -0.00 0.00 -1.54 0.00 0.00 55.06 52.13 2a7y s HIS 46 Cb 0.00 -0.63 0.03 0.00 0.04 0.00 0.00 32.58 32.02 2a7y s HIS 46 CO 0.00 -0.63 0.01 -1.21 -2.34 0.00 0.00 174.74 170.58 2a7y s GLU 47 N -4.05 0.23 0.33 2.88 8.01 -1.26 -1.51 118.70 123.34 2a7y s GLU 47 Ca 0.39 0.14 0.07 0.00 0.01 0.00 0.00 54.97 55.58 2a7y s GLU 47 Cb 0.06 -0.50 -0.03 0.00 -4.31 0.00 0.00 34.13 29.36 2a7y s GLU 47 CO 0.14 -0.18 0.27 -2.37 0.01 0.00 0.00 175.26 173.13 2a7y n THR 48 N 4.41 0.00 -3.71 3.63 5.66 0.54 -4.99 114.28 119.82 2a7y n THR 48 Ca -0.21 -2.41 -0.21 0.00 -3.05 0.00 0.00 64.05 58.17 2a7y n THR 48 Cb 0.50 1.18 -0.18 0.00 -1.55 0.00 0.00 70.33 70.29 2a7y n THR 48 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a7y s THR 49 N -3.33 0.06 0.25 1.09 2.01 -1.26 -0.85 115.64 113.61 2a7y s THR 49 Ca 0.38 0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.72 2a7y s THR 49 Cb 0.02 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 2a7y s THR 49 CO 0.27 0.20 0.16 0.54 -0.69 0.00 0.00 174.62 175.11 2a7y s VAL 50 N 2.04 0.10 -0.29 3.82 0.11 -0.97 -4.97 120.40 120.25 2a7y s VAL 50 Ca 0.04 -2.00 -0.03 0.00 -2.93 0.00 0.00 61.98 57.06 2a7y s VAL 50 Cb -0.12 -2.51 0.10 0.00 -1.53 0.00 0.00 36.38 32.32 2a7y s VAL 50 CO -0.04 0.00 0.12 -0.31 -3.33 0.00 0.00 175.10 171.55 2a7y s TYR 51 N -3.88 0.57 1.01 1.54 1.51 -1.26 -2.17 117.35 114.66 2a7y s TYR 51 Ca 0.39 -1.03 -0.11 0.00 -1.01 0.00 0.00 57.07 55.31 2a7y s TYR 51 Cb 0.06 -1.04 0.20 0.00 -0.11 0.00 0.00 41.96 41.06 2a7y s TYR 51 CO 0.16 -0.84 1.10 -2.14 -1.11 0.00 0.00 175.55 172.73 2a7y s PRO 52 N 2.01 0.31 0.00 -1.71 0.02 -1.26 -5.06 135.00 129.32 2a7y s PRO 52 Ca 0.09 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.38 2a7y s PRO 52 Cb -0.16 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.69 2a7y s PRO 52 CO -0.35 -3.02 0.00 0.41 -0.33 0.00 0.00 177.00 173.71 2a7y n GLY 53 N 0.37 0.93 3.97 0.52 0.00 -1.26 -5.02 105.19 104.71 2a7y n GLY 53 Ca 0.08 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 2a7y n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a7y s SER 54 N -1.00 6.25 -1.03 1.61 0.15 -1.26 -4.56 113.70 113.86 2a7y s SER 54 Ca 0.00 0.06 -0.02 0.00 0.70 0.00 0.00 55.95 56.70 2a7y s SER 54 Cb 0.00 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2a7y s SER 54 CO 0.00 -0.16 0.87 0.47 1.20 0.00 0.00 173.24 175.62 2a7y n ASP 55 N -1.49 -2.79 -4.72 5.45 9.92 -1.26 -1.91 116.55 119.75 2a7y n ASP 55 Ca -0.07 -0.50 -0.42 0.00 -0.53 0.00 0.00 54.79 53.27 2a7y n ASP 55 Cb 0.57 -4.35 -0.03 0.00 -0.64 0.00 0.00 41.12 36.67 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a7y s ALA 56 N -3.29 3.44 0.35 2.24 0.00 -1.26 -3.49 121.76 119.75 2a7y s ALA 56 Ca 0.10 0.92 0.07 0.00 0.00 0.00 0.00 51.96 53.06 2a7y s ALA 56 Cb -0.05 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2a7y s ALA 56 CO 0.61 -0.47 0.27 0.14 0.00 0.00 0.00 175.76 176.31 2a7y s VAL 57 N 0.95 0.06 -0.01 0.00 -7.23 0.46 -4.92 120.40 109.72 2a7y s VAL 57 Ca 0.59 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2a7y s VAL 57 Cb -0.31 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.16 2a7y s VAL 57 CO 0.30 0.00 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.39 2a7y s VAL 58 N -3.36 0.15 0.29 1.32 1.01 -1.26 -2.39 120.40 116.16 2a7y s VAL 58 Ca 0.38 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2a7y s VAL 58 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2a7y s VAL 58 CO 0.27 0.07 0.20 0.68 0.00 0.00 0.00 175.10 176.33 2a7y s VAL 59 N 0.29 0.11 0.00 2.92 -7.23 0.74 -4.97 120.40 112.26 2a7y s VAL 59 Ca -0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2a7y s VAL 59 Cb -0.05 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2a7y s VAL 59 CO -0.01 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.13 2a7y n THR 60 N -0.52 0.00 -0.11 5.32 -2.24 -1.26 -1.96 114.28 113.51 2a7y n THR 60 Ca 0.04 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 2a7y n THR 60 Cb 0.64 -0.57 0.02 0.00 -2.10 0.00 0.00 70.33 68.32 2a7y n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a7y h ALA 61 N 0.33 0.43 0.67 6.98 0.00 -1.98 -0.92 119.26 124.76 2a7y h ALA 61 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2a7y h ALA 61 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2a7y h ALA 61 CO 0.00 -0.26 -0.46 1.79 0.00 0.00 0.00 179.25 180.32 2a7y h THR 62 N 0.28 0.08 -0.24 0.00 1.35 -2.02 -2.00 112.91 110.36 2a7y h THR 62 Ca 0.17 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.10 2a7y h THR 62 Cb 0.15 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.64 2a7y h THR 62 CO -0.17 0.00 0.20 -0.33 -0.25 0.00 0.00 175.52 174.97 2a7y h GLU 63 N -1.07 0.00 -0.26 4.72 5.08 -1.94 -1.84 114.58 119.26 2a7y h GLU 63 Ca -0.08 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2a7y h GLU 63 Cb 0.88 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2a7y h GLU 63 CO 0.05 0.00 0.07 1.25 -1.00 0.00 0.00 179.01 179.38 2a7y h HIS 64 N 0.00 0.12 0.00 4.33 -0.00 -0.40 -3.31 115.15 115.90 2a7y h HIS 64 Ca 0.11 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2a7y h HIS 64 Cb 0.52 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 2a7y h HIS 64 CO 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 177.93 177.98 2a7y n ALA 65 N -2.30 -0.32 0.19 5.26 0.00 -0.69 -0.27 120.51 122.37 2a7y n ALA 65 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 2a7y n ALA 65 Cb 0.11 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 2a7y n ALA 65 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2a7y h GLU 66 N 0.00 -0.55 -0.08 0.00 4.11 -1.76 -2.48 114.58 113.81 2a7y h GLU 66 Ca 0.00 0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.49 2a7y h GLU 66 Cb 0.00 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2a7y h GLU 66 CO 0.00 -0.37 -0.08 0.00 0.07 0.00 0.00 179.01 178.63 2a7y h ALA 67 N 0.05 -0.02 -0.36 1.06 0.00 -1.64 -1.61 119.26 116.74 2a7y h ALA 67 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2a7y h ALA 67 Cb 0.52 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2a7y h ALA 67 CO -0.04 -0.55 0.25 1.49 0.00 0.00 0.00 179.25 180.40 2a7y h GLU 68 N -0.10 0.13 0.00 0.00 4.81 -0.52 0.23 114.58 119.14 2a7y h GLU 68 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2a7y h GLU 68 Cb 0.19 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2a7y h GLU 68 CO -0.14 0.09 0.00 1.63 -0.73 0.00 0.00 179.01 179.85 2a7y n LYS 69 N -4.46 0.00 0.11 1.92 5.02 -0.62 -0.35 118.16 119.78 2a7y n LYS 69 Ca 0.05 0.52 -0.13 0.00 -2.02 0.00 0.00 58.31 56.74 2a7y n LYS 69 Cb 0.34 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 2a7y n LYS 69 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2a7y h ARG 70 N 0.00 -0.36 -0.68 1.97 9.65 -1.20 -2.59 114.38 121.17 2a7y h ARG 70 Ca 0.00 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.96 2a7y h ARG 70 Cb 0.00 0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.61 2a7y h ARG 70 CO 0.00 -0.24 0.39 0.00 2.80 0.00 0.00 179.97 182.92 2a7y h ALA 71 N 0.43 0.91 -0.82 2.80 0.00 -0.67 -2.24 119.26 119.66 2a7y h ALA 71 Ca 0.02 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2a7y h ALA 71 Cb 0.38 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2a7y h ALA 71 CO -0.09 0.09 0.53 0.00 0.00 0.00 0.00 179.25 179.79 2a7y h ALA 72 N 1.34 1.64 0.41 0.00 0.00 -0.31 0.20 119.26 122.54 2a7y h ALA 72 Ca 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2a7y h ALA 72 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2a7y h ALA 72 CO -0.17 0.22 -0.30 0.00 0.00 0.00 0.00 179.25 179.01 2a7y h ALA 73 N 1.57 -1.08 -0.43 0.00 0.00 -1.16 -3.15 119.26 115.01 2a7y h ALA 73 Ca 0.36 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2a7y h ALA 73 Cb 0.29 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2a7y h ALA 73 CO -0.13 -1.07 0.21 -0.09 0.00 0.00 0.00 179.25 178.17 2a7y h ARG 74 N -0.68 0.41 -0.74 0.00 2.43 -1.15 -3.08 114.38 111.58 2a7y h ARG 74 Ca -0.05 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.22 2a7y h ARG 74 Cb 0.56 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 2a7y h ARG 74 CO 0.03 0.27 0.49 0.00 -1.51 0.00 0.00 179.97 179.25 2a7y h ALA 75 N 1.23 1.99 -3.00 2.80 0.00 -0.70 -3.45 119.26 118.12 2a7y h ALA 75 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2a7y h ALA 75 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2a7y h ALA 75 CO -0.13 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2a7y n GLY 76 N -1.50 2.95 1.74 0.00 0.00 -1.16 -4.88 105.19 102.33 2a7y n GLY 76 Ca 0.13 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2a7y n GLY 76 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2a7y n HIS 77 N 0.00 -0.58 -1.99 1.61 8.25 -1.25 -4.53 115.22 116.72 2a7y n HIS 77 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2a7y n HIS 77 Cb 0.00 -2.12 0.00 0.00 1.12 0.00 0.00 29.99 28.99 2a7y n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a7y n ALA 78 N 0.00 1.71 -1.95 -1.41 0.00 -1.26 -5.10 120.51 112.50 2a7y n ALA 78 Ca -0.09 -0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 2a7y n ALA 78 Cb 0.31 -0.01 0.04 0.00 0.00 0.00 0.00 19.45 19.79 2a7y n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a7y s ALA 79 N 0.00 3.04 0.00 0.00 0.00 -1.26 -5.24 121.76 118.30 2a7y s ALA 79 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2a7y s ALA 79 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2a7y s ALA 79 CO 0.00 -0.97 0.10 2.41 0.00 0.00 0.00 175.76 177.30