#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 0.15 -0.00 3.17 3.76 -1.26 -4.52 115.29 116.59 2a7y s HIS 2 Ca 0.00 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.84 2a7y s HIS 2 Cb 0.00 -0.10 -0.00 0.00 1.11 0.00 0.00 32.58 33.59 2a7y s HIS 2 CO 0.00 -0.02 -0.03 0.00 -0.85 0.00 0.00 174.74 173.84 2a7y s ALA 3 N -0.18 0.24 0.00 -1.40 0.00 -1.26 -4.89 121.76 114.27 2a7y s ALA 3 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2a7y s ALA 3 Cb -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.05 2a7y s ALA 3 CO -0.00 0.05 -0.02 0.15 0.00 0.00 0.00 175.76 175.94 2a7y s LYS 4 N -0.11 0.14 0.35 0.00 -0.14 -1.26 -4.77 119.74 113.94 2a7y s LYS 4 Ca 0.01 -0.11 -0.29 0.00 -1.36 0.00 0.00 55.97 54.22 2a7y s LYS 4 Cb -0.01 -0.09 -0.11 0.00 -1.68 0.00 0.00 37.83 35.93 2a7y s LYS 4 CO -0.00 0.02 1.49 0.54 -0.76 0.00 0.00 175.35 176.64 2a7y s VAL 5 N -0.18 2.15 0.00 3.17 0.11 -1.26 -2.00 120.40 122.39 2a7y s VAL 5 Ca -0.01 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2a7y s VAL 5 Cb -0.02 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.74 2a7y s VAL 5 CO -0.00 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2a7y n GLY 6 N 0.98 0.54 2.93 6.54 0.00 0.57 -4.99 105.19 111.76 2a7y n GLY 6 Ca 0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 2a7y n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a7y s ASP 7 N -2.41 0.23 0.01 1.61 -1.08 -0.85 -4.80 116.67 109.38 2a7y s ASP 7 Ca 0.00 -0.19 0.02 0.00 -0.52 0.00 0.00 52.55 51.86 2a7y s ASP 7 Cb 0.00 0.02 -0.01 0.00 -1.46 0.00 0.00 42.92 41.47 2a7y s ASP 7 CO 0.00 -0.09 -0.08 -0.31 0.52 0.00 0.00 175.17 175.21 2a7y s TYR 8 N -0.53 0.69 -0.00 -5.34 1.51 -0.85 -2.49 117.35 110.34 2a7y s TYR 8 Ca -0.05 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.83 2a7y s TYR 8 Cb -0.04 -0.43 -0.00 0.00 -0.11 0.00 0.00 41.96 41.37 2a7y s TYR 8 CO -0.00 -0.02 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.20 2a7y s LEU 9 N -0.45 2.02 0.00 -1.29 0.20 -0.80 -0.10 118.68 118.26 2a7y s LEU 9 Ca 0.01 -0.09 0.01 0.00 0.69 0.00 0.00 54.13 54.74 2a7y s LEU 9 Cb -0.04 -0.23 -0.00 0.00 -0.43 0.00 0.00 46.19 45.48 2a7y s LEU 9 CO -0.00 0.05 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.40 2a7y s VAL 10 N -0.14 0.15 -0.00 1.68 1.01 0.45 -2.35 120.40 121.20 2a7y s VAL 10 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2a7y s VAL 10 Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 2a7y s VAL 10 CO -0.00 -0.04 -0.03 -0.69 0.00 0.00 0.00 175.10 174.34 2a7y s VAL 11 N -0.26 0.26 -0.92 2.92 1.01 0.45 -0.41 120.40 123.45 2a7y s VAL 11 Ca -0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 2a7y s VAL 11 Cb -0.02 -0.23 0.07 0.00 0.00 0.00 0.00 36.38 36.20 2a7y s VAL 11 CO -0.00 0.08 1.30 -0.75 0.00 0.00 0.00 175.10 175.73 2a7y s LYS 12 N -0.05 3.48 0.14 2.72 2.20 -1.21 -1.78 119.74 125.23 2a7y s LYS 12 Ca 0.01 -1.08 -0.17 0.00 -0.36 0.00 0.00 55.97 54.37 2a7y s LYS 12 Cb -0.02 -4.95 -0.00 0.00 -1.51 0.00 0.00 37.83 31.35 2a7y s LYS 12 CO -0.00 -2.07 1.77 0.78 -0.36 0.00 0.00 175.35 175.48 2a7y h GLY 13 N 12.18 0.54 0.00 5.54 0.00 -1.82 -3.46 103.07 116.05 2a7y h GLY 13 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2a7y h GLY 13 CO 1.31 0.22 0.00 2.41 0.00 0.00 0.00 176.54 180.48 2a7y n THR 14 N -4.79 0.00 0.19 4.70 -1.04 -1.21 -3.83 114.28 108.29 2a7y n THR 14 Ca -0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 2a7y n THR 14 Cb 0.05 0.00 0.36 0.00 -1.82 0.00 0.00 70.33 68.92 2a7y n THR 14 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2a7y h THR 15 N 0.00 1.11 -3.41 12.58 1.35 -1.92 -3.30 112.91 119.32 2a7y h THR 15 Ca 0.00 -1.43 -0.74 0.00 -0.55 0.00 0.00 66.41 63.69 2a7y h THR 15 Cb 0.00 1.81 -0.33 0.00 -1.73 0.00 0.00 68.15 67.90 2a7y h THR 15 CO 0.00 0.39 0.09 0.42 -0.25 0.00 0.00 175.52 176.16 2a7y s THR 16 N -3.90 4.92 0.00 6.82 -4.23 -1.25 -5.05 115.64 112.95 2a7y s THR 16 Ca -0.02 -3.69 0.00 0.00 -1.18 0.00 0.00 61.69 56.80 2a7y s THR 16 Cb 0.13 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2a7y s THR 16 CO 0.71 -1.12 0.00 -0.62 -0.54 0.00 0.00 174.62 173.05 2a7y n GLU 17 N 2.49 0.00 0.00 3.99 1.02 -1.24 -4.61 120.64 122.29 2a7y n GLU 17 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2a7y n GLU 17 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 2a7y n GLU 17 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2a7y n ARG 18 N 0.00 1.80 -2.71 3.49 1.74 -1.26 -3.30 116.66 116.42 2a7y n ARG 18 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2a7y n ARG 18 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2a7y n ARG 18 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2a7y s HIS 19 N 0.00 2.55 0.00 -1.55 3.76 -1.26 -3.64 115.29 115.15 2a7y s HIS 19 Ca 0.00 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 2a7y s HIS 19 Cb 0.00 -4.40 0.00 0.00 1.11 0.00 0.00 32.58 29.29 2a7y s HIS 19 CO 0.00 -1.74 0.00 -3.47 -0.85 0.00 0.00 174.74 168.68 2a7y n ASP 20 N 8.35 1.64 -2.17 1.40 2.03 -0.73 -4.79 116.55 122.26 2a7y n ASP 20 Ca 0.01 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.30 2a7y n ASP 20 Cb 0.47 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.86 2a7y n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7y n GLN 21 N 0.00 -3.79 -3.97 -0.67 6.02 -1.22 -0.41 117.38 113.34 2a7y n GLN 21 Ca 0.00 2.91 -0.15 0.00 -0.01 0.00 0.00 57.00 59.75 2a7y n GLN 21 Cb 0.00 -3.92 -0.15 0.00 1.02 0.00 0.00 30.24 27.19 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2a7y s HIS 22 N -0.48 0.23 -0.01 1.08 3.76 -1.13 -3.21 115.29 115.53 2a7y s HIS 22 Ca -0.10 -0.02 -0.03 0.00 -0.15 0.00 0.00 55.06 54.75 2a7y s HIS 22 Cb 0.01 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.48 2a7y s HIS 22 CO 0.28 -0.04 0.07 0.00 -0.85 0.00 0.00 174.74 174.20 2a7y s ALA 23 N 0.31 -0.17 -0.01 -1.40 0.00 -0.99 -2.14 121.76 117.37 2a7y s ALA 23 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.93 2a7y s ALA 23 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2a7y s ALA 23 CO -0.01 -0.10 -0.07 -2.00 0.00 0.00 0.00 175.76 173.58 2a7y s GLU 24 N -0.60 0.58 -0.14 0.00 -6.30 0.01 -1.90 118.70 110.35 2a7y s GLU 24 Ca -0.07 -0.25 -0.18 0.00 -2.50 0.00 0.00 54.97 51.97 2a7y s GLU 24 Cb -0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 34.13 33.49 2a7y s GLU 24 CO 0.00 0.15 0.48 0.96 0.02 0.00 0.00 175.26 176.87 2a7y s ILE 25 N -0.15 5.18 -1.51 -3.70 -4.36 -1.04 -0.80 121.20 114.82 2a7y s ILE 25 Ca 0.03 0.93 0.19 0.00 -0.26 0.00 0.00 60.65 61.53 2a7y s ILE 25 Cb -0.03 -3.81 -0.06 0.00 1.25 0.00 0.00 42.46 39.81 2a7y s ILE 25 CO -0.00 0.29 0.92 2.30 0.24 0.00 0.00 174.94 178.69 2a7y n ILE 26 N 3.89 0.00 -3.94 8.37 -6.64 -1.12 -0.31 119.36 119.61 2a7y n ILE 26 Ca -0.07 -0.23 -0.13 0.00 -1.77 0.00 0.00 62.75 60.56 2a7y n ILE 26 Cb 0.51 1.16 -0.14 0.00 -1.44 0.00 0.00 39.64 39.73 2a7y n ILE 26 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 2a7y s GLU 27 N -2.37 0.10 -0.00 6.28 2.02 -0.89 -4.92 118.70 118.92 2a7y s GLU 27 Ca 0.13 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 55.09 2a7y s GLU 27 Cb 0.15 -0.11 -0.00 0.00 0.10 0.00 0.00 34.13 34.27 2a7y s GLU 27 CO 0.57 0.02 -0.02 0.08 0.02 0.00 0.00 175.26 175.93 2a7y s VAL 28 N 0.00 0.17 -0.12 2.63 1.01 -1.26 -2.39 120.40 120.44 2a7y s VAL 28 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 61.98 62.04 2a7y s VAL 28 Cb -0.01 -0.16 0.32 0.00 0.00 0.00 0.00 36.38 36.54 2a7y s VAL 28 CO -0.00 0.05 1.16 -1.14 0.00 0.00 0.00 175.10 175.17 2a7y n ARG 29 N 3.05 1.03 -3.46 2.72 0.63 -1.26 -4.97 116.66 114.39 2a7y n ARG 29 Ca -0.13 -2.55 0.01 0.00 -0.92 0.00 0.00 57.85 54.26 2a7y n ARG 29 Cb 0.59 -1.18 -0.05 0.00 0.45 0.00 0.00 32.46 32.27 2a7y n ARG 29 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2a7y s SER 30 N -2.62 -0.35 0.21 6.15 0.15 -1.26 -4.81 113.70 111.16 2a7y s SER 30 Ca 0.30 0.51 0.24 0.00 0.70 0.00 0.00 55.95 57.70 2a7y s SER 30 Cb 0.29 1.30 0.43 0.00 -1.71 0.00 0.00 66.02 66.33 2a7y s SER 30 CO -0.04 -0.08 1.46 0.00 1.20 0.00 0.00 173.24 175.78 2a7y h ALA 31 N 6.59 0.76 -0.08 5.45 0.00 -1.92 -3.33 119.26 126.74 2a7y h ALA 31 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2a7y h ALA 31 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2a7y h ALA 31 CO 0.13 0.00 -0.29 -0.44 0.00 0.00 0.00 179.25 178.66 2a7y h ASP 32 N 0.00 0.39 0.00 0.00 5.19 -1.92 -3.40 116.42 116.68 2a7y h ASP 32 Ca 0.00 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 55.79 2a7y h ASP 32 Cb 0.82 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.22 2a7y h ASP 32 CO 0.00 0.95 0.00 0.61 -3.12 0.00 0.00 179.24 177.68 2a7y n GLY 33 N 0.63 0.84 3.47 2.75 0.00 -1.25 -4.55 105.19 107.06 2a7y n GLY 33 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 2a7y n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a7y s SER 34 N -1.65 3.72 0.93 1.61 0.01 -1.26 -5.02 113.70 112.04 2a7y s SER 34 Ca 0.00 -0.67 -0.12 0.00 1.31 0.00 0.00 55.95 56.47 2a7y s SER 34 Cb 0.00 -0.44 0.15 0.00 0.21 0.00 0.00 66.02 65.94 2a7y s SER 34 CO 0.00 0.16 1.11 -2.16 0.41 0.00 0.00 173.24 172.76 2a7y s PRO 35 N -2.34 0.95 1.06 12.44 0.04 -1.26 -4.31 135.00 141.58 2a7y s PRO 35 Ca 0.19 0.43 -0.18 0.00 0.04 0.00 0.00 61.00 61.48 2a7y s PRO 35 Cb -0.10 -1.81 0.25 0.00 0.04 0.00 0.00 34.50 32.89 2a7y s PRO 35 CO 0.10 -2.36 1.30 -2.14 0.04 0.00 0.00 177.00 173.94 2a7y s PRO 36 N -5.13 -0.14 0.00 0.56 0.02 -1.26 -4.94 135.00 124.11 2a7y s PRO 36 Ca 0.64 -0.46 0.01 0.00 0.02 0.00 0.00 61.00 61.21 2a7y s PRO 36 Cb -0.16 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.59 2a7y s PRO 36 CO 0.55 -2.93 -0.02 0.71 -0.33 0.00 0.00 177.00 174.98 2a7y s TYR 37 N -3.74 0.20 -0.01 6.54 2.02 -0.97 -4.08 117.35 117.31 2a7y s TYR 37 Ca 0.76 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 57.34 2a7y s TYR 37 Cb -0.03 -0.13 -0.00 0.00 -0.40 0.00 0.00 41.96 41.40 2a7y s TYR 37 CO 0.54 -0.03 -0.05 0.08 -1.57 0.00 0.00 175.55 174.52 2a7y s VAL 38 N -0.33 0.42 0.00 0.71 1.01 -1.01 -1.28 120.40 119.92 2a7y s VAL 38 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2a7y s VAL 38 Cb -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 2a7y s VAL 38 CO -0.00 0.13 -0.01 -0.69 0.00 0.00 0.00 175.10 174.52 2a7y s VAL 39 N -0.01 0.05 -0.00 2.92 1.01 0.39 -2.10 120.40 122.66 2a7y s VAL 39 Ca 0.01 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2a7y s VAL 39 Cb -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 36.38 36.26 2a7y s VAL 39 CO -0.00 -0.10 -0.04 -0.60 0.00 0.00 0.00 175.10 174.36 2a7y s ARG 40 N -0.33 0.30 -1.09 2.72 3.52 0.02 -0.32 118.95 123.77 2a7y s ARG 40 Ca -0.03 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.40 2a7y s ARG 40 Cb -0.02 -0.30 0.30 0.00 -1.56 0.00 0.00 34.95 33.37 2a7y s ARG 40 CO -0.00 0.07 1.51 0.91 -0.81 0.00 0.00 175.30 176.97 2a7y n TRP 41 N 3.05 2.31 -0.31 5.12 7.02 -0.17 -0.81 117.44 133.65 2a7y n TRP 41 Ca -0.13 -2.60 -0.04 0.00 -1.02 0.00 0.00 57.50 53.71 2a7y n TRP 41 Cb 0.58 -1.30 0.08 0.00 -2.42 0.00 0.00 31.31 28.25 2a7y n TRP 41 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2a7y h LEU 42 N 5.59 1.00 -0.78 -0.99 3.38 -1.87 0.40 115.31 122.04 2a7y h LEU 42 Ca 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2a7y h LEU 42 Cb 0.62 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2a7y h LEU 42 CO 1.35 0.75 0.43 -0.37 0.09 0.00 0.00 178.44 180.69 2a7y h VAL 43 N 1.15 1.23 -0.87 1.22 -1.51 -1.90 -2.71 116.25 112.86 2a7y h VAL 43 Ca 0.31 -0.58 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 2a7y h VAL 43 Cb -0.08 0.20 -0.04 0.00 -2.13 0.00 0.00 31.29 29.24 2a7y h VAL 43 CO -0.06 0.26 0.49 0.78 -1.23 0.00 0.00 177.57 177.80 2a7y h ASN 44 N 1.07 1.08 -0.96 4.19 2.35 -0.69 -3.48 115.58 119.14 2a7y h ASN 44 Ca 0.27 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2a7y h ASN 44 Cb 0.03 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.13 2a7y h ASN 44 CO -0.04 0.86 0.00 0.61 -1.65 0.00 0.00 177.43 177.21 2a7y n GLY 45 N -1.14 0.48 3.10 2.83 0.00 0.60 -5.07 105.19 105.99 2a7y n GLY 45 Ca 0.09 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.96 0.56 -0.15 1.61 5.04 -1.23 -5.00 115.29 114.17 2a7y s HIS 46 Ca 0.00 -1.01 -0.04 0.00 -1.54 0.00 0.00 55.06 52.47 2a7y s HIS 46 Cb 0.00 -0.40 0.05 0.00 0.04 0.00 0.00 32.58 32.27 2a7y s HIS 46 CO 0.00 -0.33 0.07 -1.21 -2.34 0.00 0.00 174.74 170.93 2a7y s GLU 47 N -3.74 0.23 0.28 2.88 2.02 -1.26 -1.00 118.70 118.11 2a7y s GLU 47 Ca 0.06 -0.08 0.06 0.00 0.02 0.00 0.00 54.97 55.03 2a7y s GLU 47 Cb 0.06 -1.64 -0.02 0.00 0.10 0.00 0.00 34.13 32.63 2a7y s GLU 47 CO -0.09 -0.58 0.23 -2.37 0.02 0.00 0.00 175.26 172.47 2a7y n THR 48 N 5.22 0.00 -3.77 3.63 5.66 0.56 -5.00 114.28 120.58 2a7y n THR 48 Ca -0.07 -2.05 -0.21 0.00 -3.05 0.00 0.00 64.05 58.67 2a7y n THR 48 Cb 0.49 1.02 -0.17 0.00 -1.55 0.00 0.00 70.33 70.11 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 -3.13 0.15 0.34 1.09 2.01 -1.26 -0.46 115.64 114.38 2a7y s THR 49 Ca 0.33 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.63 2a7y s THR 49 Cb 0.02 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 2a7y s THR 49 CO 0.23 0.21 0.26 -0.69 -0.69 0.00 0.00 174.62 173.94 2a7y s VAL 50 N 1.83 0.08 -0.12 3.82 1.01 -0.41 -5.01 120.40 121.61 2a7y s VAL 50 Ca 0.02 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 59.96 2a7y s VAL 50 Cb -0.12 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.83 2a7y s VAL 50 CO -0.04 0.00 0.06 -0.31 0.00 0.00 0.00 175.10 174.82 2a7y s TYR 51 N -3.40 0.31 0.01 5.22 2.02 -1.26 -2.29 117.35 117.95 2a7y s TYR 51 Ca 0.38 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.79 2a7y s TYR 51 Cb 0.02 -0.67 -0.07 0.00 -0.40 0.00 0.00 41.96 40.84 2a7y s TYR 51 CO 0.26 -0.39 1.02 -1.35 -1.57 0.00 0.00 175.55 173.52 2a7y h PRO 52 N 8.39 -0.43 0.00 -1.71 0.11 -1.96 -3.48 132.00 132.92 2a7y h PRO 52 Ca -0.15 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2a7y h PRO 52 Cb 1.13 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2a7y h PRO 52 CO 0.24 -0.29 0.00 0.41 -0.21 0.00 0.00 178.00 178.16 2a7y n GLY 53 N -0.74 0.29 3.95 -0.55 0.00 -1.26 -5.02 105.19 101.86 2a7y n GLY 53 Ca -0.06 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 2a7y n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a7y s SER 54 N -4.00 6.02 -1.29 1.61 1.04 -1.26 -4.55 113.70 111.27 2a7y s SER 54 Ca 0.00 -0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.28 2a7y s SER 54 Cb 0.00 -1.52 0.01 0.00 0.10 0.00 0.00 66.02 64.61 2a7y s SER 54 CO 0.00 -0.21 1.04 0.47 0.98 0.00 0.00 173.24 175.51 2a7y n ASP 55 N -1.46 -3.69 -4.71 7.02 9.92 -1.26 -4.18 116.55 118.19 2a7y n ASP 55 Ca -0.05 -0.62 -0.42 0.00 -0.53 0.00 0.00 54.79 53.16 2a7y n ASP 55 Cb 0.58 -4.90 -0.03 0.00 -0.64 0.00 0.00 41.12 36.13 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 -3.37 3.26 0.28 2.24 0.00 -1.26 -3.34 121.76 119.57 2a7y s ALA 56 Ca 0.26 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.93 2a7y s ALA 56 Cb -0.12 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2a7y s ALA 56 CO 0.75 -0.32 0.20 0.14 0.00 0.00 0.00 175.76 176.53 2a7y s VAL 57 N 1.02 0.08 0.04 0.00 -7.23 0.46 -4.74 120.40 110.03 2a7y s VAL 57 Ca 0.55 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2a7y s VAL 57 Cb -0.25 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2a7y s VAL 57 CO 0.29 0.00 -0.05 0.68 -0.31 0.00 0.00 175.10 175.71 2a7y s VAL 58 N -3.71 0.30 0.33 1.32 -7.23 -1.26 -0.41 120.40 109.75 2a7y s VAL 58 Ca 0.39 -1.14 0.07 0.00 -1.81 0.00 0.00 61.98 59.48 2a7y s VAL 58 Cb 0.04 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 2a7y s VAL 58 CO 0.20 -0.55 0.26 0.68 -0.31 0.00 0.00 175.10 175.38 2a7y s VAL 59 N -1.87 0.06 0.06 1.32 -7.23 0.86 -4.97 120.40 108.63 2a7y s VAL 59 Ca -0.09 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 2a7y s VAL 59 Cb -0.07 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2a7y s VAL 59 CO -0.02 0.00 0.01 0.35 -0.31 0.00 0.00 175.10 175.13 2a7y n THR 60 N -0.64 0.00 -0.10 5.32 -2.24 -1.26 -2.01 114.28 113.35 2a7y n THR 60 Ca 0.06 -0.28 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 2a7y n THR 60 Cb 0.63 -0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.96 0.39 0.25 6.98 0.00 -1.98 -1.32 119.26 124.53 2a7y h ALA 61 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2a7y h ALA 61 Cb 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2a7y h ALA 61 CO 0.08 -0.28 -0.23 1.79 0.00 0.00 0.00 179.25 180.61 2a7y h THR 62 N 0.26 0.50 -0.54 0.00 1.35 -2.02 -1.27 112.91 111.20 2a7y h THR 62 Ca 0.15 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.09 2a7y h THR 62 Cb 0.12 0.50 -0.03 0.00 -1.73 0.00 0.00 68.15 67.01 2a7y h THR 62 CO -0.16 0.00 0.36 -0.33 -0.25 0.00 0.00 175.52 175.14 2a7y h GLU 63 N -0.51 0.39 -0.86 4.72 5.08 -1.96 -2.55 114.58 118.90 2a7y h GLU 63 Ca -0.01 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2a7y h GLU 63 Cb 0.47 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2a7y h GLU 63 CO -0.05 0.26 0.56 1.25 -1.00 0.00 0.00 179.01 180.03 2a7y h HIS 64 N 0.40 0.96 0.00 4.33 -0.00 -0.03 -2.26 115.15 118.55 2a7y h HIS 64 Ca 0.24 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 2a7y h HIS 64 Cb 0.43 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 2a7y h HIS 64 CO -0.00 0.49 0.00 0.00 -0.00 0.00 0.00 177.93 178.42 2a7y n ALA 65 N -2.41 -0.16 0.23 5.26 0.00 -0.96 -0.43 120.51 122.05 2a7y n ALA 65 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 2a7y n ALA 65 Cb 0.23 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.64 0.61 0.00 4.11 -1.76 -2.73 114.58 114.17 2a7y h GLU 66 Ca 0.00 0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 2a7y h GLU 66 Cb 0.00 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2a7y h GLU 66 CO 0.00 -0.43 -0.46 0.00 0.07 0.00 0.00 179.01 178.20 2a7y h ALA 67 N -1.45 -1.10 -0.47 1.06 0.00 -1.52 -2.64 119.26 113.13 2a7y h ALA 67 Ca -0.06 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2a7y h ALA 67 Cb 0.54 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2a7y h ALA 67 CO 0.04 -1.14 0.32 1.49 0.00 0.00 0.00 179.25 179.96 2a7y h GLU 68 N -1.03 0.33 0.00 0.00 4.81 -0.79 0.19 114.58 118.09 2a7y h GLU 68 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2a7y h GLU 68 Cb 0.86 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2a7y h GLU 68 CO 0.03 0.22 0.00 1.17 -0.73 0.00 0.00 179.01 179.69 2a7y n LYS 69 N -4.47 0.00 0.15 1.92 4.81 -1.02 -0.34 118.16 119.22 2a7y n LYS 69 Ca 0.07 0.51 -0.13 0.00 -0.87 0.00 0.00 58.31 57.88 2a7y n LYS 69 Cb 0.30 -1.43 -0.06 0.00 0.02 0.00 0.00 35.03 33.85 2a7y n LYS 69 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2a7y h ARG 70 N 0.00 -0.44 -0.96 1.64 1.12 -1.22 -2.37 114.38 112.14 2a7y h ARG 70 Ca 0.00 0.03 0.06 0.00 -1.11 0.00 0.00 59.98 58.96 2a7y h ARG 70 Cb 0.00 0.10 -0.06 0.00 -0.01 0.00 0.00 29.97 30.00 2a7y h ARG 70 CO 0.00 -0.29 0.62 0.00 -3.11 0.00 0.00 179.97 177.19 2a7y h ALA 71 N 0.27 1.45 -0.68 2.80 0.00 -0.75 -1.89 119.26 120.46 2a7y h ALA 71 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2a7y h ALA 71 Cb 0.43 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2a7y h ALA 71 CO -0.05 0.41 0.39 0.00 0.00 0.00 0.00 179.25 180.00 2a7y h ALA 72 N 1.48 0.91 -0.94 0.00 0.00 -0.15 0.19 119.26 120.76 2a7y h ALA 72 Ca 0.41 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.41 2a7y h ALA 72 Cb 0.18 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2a7y h ALA 72 CO -0.16 0.09 0.59 0.00 0.00 0.00 0.00 179.25 179.77 2a7y h ALA 73 N 1.34 1.33 0.59 0.00 0.00 -1.11 -1.45 119.26 119.95 2a7y h ALA 73 Ca 0.30 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2a7y h ALA 73 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2a7y h ALA 73 CO -0.17 0.31 -0.40 0.00 0.00 0.00 0.00 179.25 178.99 2a7y h ARG 74 N 1.04 -0.92 -0.92 0.00 -0.00 -0.72 -2.54 114.38 110.31 2a7y h ARG 74 Ca 0.42 0.06 0.24 0.00 -0.50 0.00 0.00 59.98 60.21 2a7y h ARG 74 Cb 0.25 0.21 -0.13 0.00 0.00 0.00 0.00 29.97 30.30 2a7y h ARG 74 CO -0.20 -0.61 0.42 0.00 0.00 0.00 0.00 179.97 179.58 2a7y h ALA 75 N -0.67 1.54 -0.19 0.04 0.00 0.37 -1.43 119.26 118.93 2a7y h ALA 75 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2a7y h ALA 75 Cb 0.79 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2a7y h ALA 75 CO 0.04 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.31 2a7y n GLY 76 N -1.33 1.06 0.11 0.00 0.00 -1.01 -4.08 105.19 99.94 2a7y n GLY 76 Ca 0.24 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.90 2a7y n GLY 76 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2a7y h HIS 77 N 2.73 0.00 0.00 1.61 6.17 -0.82 -3.31 115.15 121.53 2a7y h HIS 77 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2a7y h HIS 77 Cb 0.68 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.61 2a7y h HIS 77 CO 0.12 0.18 -0.09 0.00 0.71 0.00 0.00 177.93 178.85 2a7y n ALA 78 N -2.24 2.45 -3.62 5.26 0.00 -0.99 -4.43 120.51 116.94 2a7y n ALA 78 Ca -0.03 -0.10 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 2a7y n ALA 78 Cb 0.64 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.06 3.70 0.00 0.00 0.00 -1.25 -5.15 121.76 116.01 2a7y s ALA 79 Ca 0.12 -3.25 0.00 0.00 0.00 0.00 0.00 51.96 48.83 2a7y s ALA 79 Cb 0.15 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2a7y s ALA 79 CO 0.59 -2.14 0.39 2.41 0.00 0.00 0.00 175.76 177.01