#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mny n LYS 2 N 0.00 0.00 -4.63 -1.24 4.01 -1.26 -5.13 118.16 109.91 1mny n LYS 2 Ca 0.00 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.57 1mny n LYS 2 Cb 0.00 -0.13 -0.15 0.00 -0.51 0.00 0.00 35.03 34.24 1mny n LYS 2 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1mny s ASP 3 N -5.21 1.82 0.03 4.39 1.11 -1.26 -5.09 116.67 112.46 1mny s ASP 3 Ca 0.00 -0.34 -0.38 0.00 0.18 0.00 0.00 52.55 52.01 1mny s ASP 3 Cb 0.00 -0.18 -0.17 0.00 1.07 0.00 0.00 42.92 43.64 1mny s ASP 3 CO 0.00 0.15 1.32 1.33 1.18 0.00 0.00 175.17 179.16 1mny n VAL 4 N 2.45 0.02 -2.96 -1.27 0.24 -1.26 -4.90 118.33 110.65 1mny n VAL 4 Ca -0.15 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 1mny n VAL 4 Cb 0.55 -0.69 0.01 0.00 -1.47 0.00 0.00 33.84 32.23 1mny n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1mny n LYS 5 N 2.57 4.53 -1.58 7.34 4.01 -1.26 -4.99 118.16 128.77 1mny n LYS 5 Ca 0.20 -4.59 -0.42 0.00 -0.51 0.00 0.00 58.31 52.99 1mny n LYS 5 Cb 0.16 -2.48 -0.03 0.00 -0.51 0.00 0.00 35.03 32.17 1mny n LYS 5 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1mny n TYR 6 N 1.01 1.83 -4.13 2.13 4.01 -1.26 -3.00 117.16 117.75 1mny n TYR 6 Ca 0.30 -0.06 -0.35 0.00 -0.16 0.00 0.00 57.90 57.63 1mny n TYR 6 Cb 0.32 -2.70 -0.09 0.00 -0.31 0.00 0.00 39.34 36.56 1mny n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1mny s TYR 7 N 9.27 3.26 0.65 -0.72 2.02 -0.39 -4.62 117.35 126.82 1mny s TYR 7 Ca 1.01 0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 57.72 1mny s TYR 7 Cb -0.31 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.28 1mny s TYR 7 CO 0.33 0.33 1.08 0.95 -1.57 0.00 0.00 175.55 176.67 1mny s THR 8 N -0.23 3.58 0.28 -0.71 -4.23 -1.26 -1.20 115.64 111.86 1mny s THR 8 Ca 0.07 0.68 0.20 0.00 -1.18 0.00 0.00 61.69 61.47 1mny s THR 8 Cb -0.12 -3.23 0.18 0.00 1.34 0.00 0.00 72.50 70.67 1mny s THR 8 CO 0.02 -0.50 1.85 -0.07 -0.54 0.00 0.00 174.62 175.38 1mny h LEU 9 N -0.04 0.00 -0.04 4.79 4.07 -1.97 -1.99 115.31 120.14 1mny h LEU 9 Ca -0.46 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.53 1mny h LEU 9 Cb 1.23 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.94 1mny h LEU 9 CO 0.55 0.29 -0.12 -0.33 -1.08 0.00 0.00 178.44 177.75 1mny h GLU 10 N 0.00 -0.18 0.41 1.13 5.08 -1.97 -2.61 114.58 116.43 1mny h GLU 10 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1mny h GLU 10 Cb 0.68 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1mny h GLU 10 CO 0.04 -0.12 -0.37 1.49 -1.00 0.00 0.00 179.01 179.05 1mny h GLU 11 N -0.19 -0.74 -0.91 2.33 4.57 -1.74 -2.57 114.58 115.34 1mny h GLU 11 Ca 0.06 0.05 0.22 0.00 -1.18 0.00 0.00 59.36 58.51 1mny h GLU 11 Cb 0.26 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.96 1mny h GLU 11 CO -0.15 -0.49 0.61 -0.84 -1.18 0.00 0.00 179.01 176.96 1mny h ILE 12 N -0.77 0.64 0.00 2.32 3.07 -1.53 -1.59 117.51 119.66 1mny h ILE 12 Ca -0.05 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1mny h ILE 12 Cb 0.65 0.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 1mny h ILE 12 CO -0.02 0.06 0.00 1.67 -1.05 0.00 0.00 178.15 178.81 1mny n GLN 13 N -4.48 0.05 0.19 0.16 7.27 -0.97 -1.49 117.38 118.11 1mny n GLN 13 Ca 0.20 0.37 0.12 0.00 0.07 0.00 0.00 57.00 57.75 1mny n GLN 13 Cb 0.76 -1.61 0.13 0.00 2.41 0.00 0.00 30.24 31.94 1mny n GLN 13 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1mny h LYS 14 N 0.00 0.00 -3.52 3.69 1.79 -1.35 -3.43 116.57 113.74 1mny h LYS 14 Ca 0.00 0.00 -0.77 0.00 -2.18 0.00 0.00 60.65 57.70 1mny h LYS 14 Cb 0.20 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 30.67 1mny h LYS 14 CO 0.00 0.00 1.65 0.72 -1.08 0.00 0.00 179.45 180.74 1mny n HIS 15 N -3.01 3.10 -1.93 -1.35 8.25 -0.56 -4.09 115.22 115.64 1mny n HIS 15 Ca 0.03 -2.85 0.00 0.00 -0.26 0.00 0.00 57.72 54.65 1mny n HIS 15 Cb 0.53 -1.82 0.00 0.00 1.12 0.00 0.00 29.99 29.82 1mny n HIS 15 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1mny n LYS 16 N 3.50 0.00 0.04 -0.41 2.85 -1.15 -3.65 118.16 119.34 1mny n LYS 16 Ca 0.36 -0.17 -0.16 0.00 -1.05 0.00 0.00 58.31 57.29 1mny n LYS 16 Cb 0.36 -0.10 -0.14 0.00 -0.65 0.00 0.00 35.03 34.50 1mny n LYS 16 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1mny h ASP 17 N 0.00 0.33 0.00 -5.58 3.58 -1.75 -3.46 116.42 109.54 1mny h ASP 17 Ca 0.00 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.92 1mny h ASP 17 Cb 1.05 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1mny h ASP 17 CO 0.00 1.46 0.00 -0.24 -2.88 0.00 0.00 179.24 177.58 1mny n SER 18 N -3.39 -0.78 0.10 2.28 2.88 -1.26 -5.07 113.62 108.38 1mny n SER 18 Ca -0.19 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1mny n SER 18 Cb 1.04 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 65.54 1mny n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1mny n LYS 19 N -2.72 0.00 -1.69 -1.46 3.00 -1.26 -5.05 118.16 108.98 1mny n LYS 19 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1mny n LYS 19 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1mny n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1mny s SER 20 N -4.01 6.08 -0.03 3.14 0.01 -1.26 -4.70 113.70 112.93 1mny s SER 20 Ca 0.00 2.30 -0.00 0.00 1.31 0.00 0.00 55.95 59.55 1mny s SER 20 Cb 0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.74 1mny s SER 20 CO 0.00 -1.41 0.02 -0.89 0.41 0.00 0.00 173.24 171.38 1mny s THR 21 N 5.94 0.05 0.14 1.44 2.01 -1.26 -2.93 115.64 121.04 1mny s THR 21 Ca 0.91 0.21 0.10 0.00 0.31 0.00 0.00 61.69 63.23 1mny s THR 21 Cb -0.38 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1mny s THR 21 CO 0.38 0.14 -0.23 0.26 -0.69 0.00 0.00 174.62 174.48 1mny s TRP 22 N 1.37 2.38 -0.08 4.92 0.51 -1.24 -2.12 118.94 124.68 1mny s TRP 22 Ca -0.05 -0.34 -0.05 0.00 -2.12 0.00 0.00 56.10 53.54 1mny s TRP 22 Cb -0.13 -1.25 0.03 0.00 -0.81 0.00 0.00 33.47 31.31 1mny s TRP 22 CO -0.03 0.40 0.20 0.08 -0.51 0.00 0.00 176.95 177.09 1mny s VAL 23 N -1.26 -0.03 -0.16 4.03 1.01 -0.31 -1.21 120.40 122.47 1mny s VAL 23 Ca 0.17 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1mny s VAL 23 Cb -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1mny s VAL 23 CO 0.08 0.04 0.01 -0.51 0.00 0.00 0.00 175.10 174.72 1mny s ILE 24 N 0.74 4.29 -0.45 2.22 2.07 -1.13 -1.35 121.20 127.58 1mny s ILE 24 Ca -0.05 -0.22 0.03 0.00 -1.41 0.00 0.00 60.65 59.00 1mny s ILE 24 Cb -0.07 -2.90 0.16 0.00 0.13 0.00 0.00 42.46 39.78 1mny s ILE 24 CO -0.04 0.49 0.33 -0.76 -1.91 0.00 0.00 174.94 173.05 1mny s LEU 25 N 0.29 2.05 -0.32 8.50 1.43 -0.49 -1.62 118.68 128.52 1mny s LEU 25 Ca -0.00 -3.01 -0.06 0.00 -1.03 0.00 0.00 54.13 50.03 1mny s LEU 25 Cb -0.13 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.40 1mny s LEU 25 CO 0.02 -0.19 0.38 1.41 0.23 0.00 0.00 176.35 178.20 1mny n HIS 26 N 2.97 -1.98 -4.16 0.29 8.25 -1.26 -4.05 115.22 115.28 1mny n HIS 26 Ca 0.23 0.78 -0.35 0.00 -0.26 0.00 0.00 57.72 58.13 1mny n HIS 26 Cb 0.43 -3.06 -0.02 0.00 1.12 0.00 0.00 29.99 28.46 1mny n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1mny n HIS 27 N -0.78 -1.79 -3.76 4.41 8.25 -1.26 -4.96 115.22 115.33 1mny n HIS 27 Ca 0.05 0.81 -0.13 0.00 -0.26 0.00 0.00 57.72 58.18 1mny n HIS 27 Cb 0.36 -3.14 -0.14 0.00 1.12 0.00 0.00 29.99 28.18 1mny n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1mny s LYS 28 N -6.86 0.13 -0.38 -0.41 3.01 -1.26 -3.98 119.74 109.98 1mny s LYS 28 Ca 0.65 0.36 -0.19 0.00 -1.01 0.00 0.00 55.97 55.78 1mny s LYS 28 Cb -0.35 -0.12 0.01 0.00 -1.01 0.00 0.00 37.83 36.36 1mny s LYS 28 CO 0.91 -0.13 0.55 0.08 0.51 0.00 0.00 175.35 177.27 1mny s VAL 29 N 0.95 4.96 -0.21 3.17 1.01 -0.39 -1.39 120.40 128.50 1mny s VAL 29 Ca -0.07 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1mny s VAL 29 Cb -0.09 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1mny s VAL 29 CO -0.05 -0.36 0.13 -0.31 0.00 0.00 0.00 175.10 174.51 1mny s TYR 30 N 2.51 3.35 -0.24 5.22 1.51 -0.46 -1.13 117.35 128.12 1mny s TYR 30 Ca 0.20 0.24 -0.20 0.00 -1.01 0.00 0.00 57.07 56.30 1mny s TYR 30 Cb -0.15 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1mny s TYR 30 CO 0.15 0.18 0.62 0.34 -1.11 0.00 0.00 175.55 175.73 1mny s ASP 31 N 0.65 6.60 -0.13 2.29 2.15 -0.56 -1.16 116.67 126.50 1mny s ASP 31 Ca 0.07 0.74 0.15 0.00 0.43 0.00 0.00 52.55 53.94 1mny s ASP 31 Cb -0.12 -2.34 0.30 0.00 -0.30 0.00 0.00 42.92 40.46 1mny s ASP 31 CO 0.01 -0.34 1.15 0.18 -0.17 0.00 0.00 175.17 176.00 1mny n LEU 32 N 5.51 2.11 -0.03 -1.34 4.77 -0.90 -4.73 117.00 122.39 1mny n LEU 32 Ca -0.01 -3.02 -0.10 0.00 -0.03 0.00 0.00 56.01 52.86 1mny n LEU 32 Cb 0.49 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1mny n LEU 32 CO 0.43 0.83 0.65 0.74 -1.33 0.00 0.00 177.39 178.71 1mny h THR 33 N 1.39 0.29 -1.07 -5.08 2.02 -1.72 0.10 112.91 108.84 1mny h THR 33 Ca -0.01 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.61 1mny h THR 33 Cb 1.09 0.29 -0.16 0.00 -1.74 0.00 0.00 68.15 67.63 1mny h THR 33 CO 0.00 0.00 0.88 0.29 0.37 0.00 0.00 175.52 177.07 1mny n LYS 34 N -5.41 2.95 -0.86 6.66 5.02 -1.26 -3.64 118.16 121.63 1mny n LYS 34 Ca -0.02 -2.60 -0.04 0.00 -2.02 0.00 0.00 58.31 53.63 1mny n LYS 34 Cb 0.32 -2.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.03 1mny n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1mny n PHE 35 N 1.13 0.00 0.00 2.13 7.35 0.32 -4.93 117.46 123.46 1mny n PHE 35 Ca 0.52 -0.32 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 1mny n PHE 35 Cb 0.48 0.35 0.00 0.00 0.35 0.00 0.00 39.48 40.67 1mny n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1mny n LEU 36 N 0.04 1.22 0.23 -2.13 7.99 -1.06 -2.64 117.00 120.65 1mny n LEU 36 Ca -0.16 0.14 0.08 0.00 -0.01 0.00 0.00 56.01 56.05 1mny n LEU 36 Cb 0.67 0.00 0.54 0.00 -0.11 0.00 0.00 43.42 44.52 1mny n LEU 36 CO -0.08 0.00 0.87 -0.33 -1.51 0.00 0.00 177.39 176.33 1mny h GLU 37 N 0.00 0.00 0.00 3.23 5.08 -1.91 -2.11 114.58 118.87 1mny h GLU 37 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1mny h GLU 37 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mny h GLU 37 CO 0.00 0.22 -0.03 0.93 -1.00 0.00 0.00 179.01 179.13 1mny h GLU 38 N 0.00 0.00 -6.43 2.33 5.08 -1.82 -3.42 114.58 110.31 1mny h GLU 38 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1mny h GLU 38 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1mny h GLU 38 CO 0.03 0.03 0.92 -1.58 -1.00 0.00 0.00 179.01 177.40 1mny s HIS 39 N -4.50 2.65 -1.04 4.33 2.46 -0.79 -4.92 115.29 113.48 1mny s HIS 39 Ca -0.04 0.56 -0.23 0.00 0.47 0.00 0.00 55.06 55.81 1mny s HIS 39 Cb 0.14 -3.83 0.01 0.00 -0.13 0.00 0.00 32.58 28.77 1mny s HIS 39 CO 0.55 -3.23 1.69 -1.25 -2.47 0.00 0.00 174.74 170.03 1mny s PRO 40 N 2.41 3.21 0.00 2.88 0.04 -1.26 -3.08 135.00 139.20 1mny s PRO 40 Ca 0.69 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.75 1mny s PRO 40 Cb -0.37 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 28.89 1mny s PRO 40 CO 0.30 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 174.99 1mny n GLY 41 N 6.57 0.31 0.00 0.56 0.00 -1.26 -5.13 105.19 106.24 1mny n GLY 41 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1mny n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mny n GLY 42 N 0.00 -0.51 2.06 -0.02 0.00 -1.18 -5.01 105.19 100.53 1mny n GLY 42 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1mny n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mny n GLU 43 N 0.00 0.00 -0.11 1.61 0.00 -1.26 -4.03 120.64 116.86 1mny n GLU 43 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.34 1mny n GLU 43 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 31.44 32.02 1mny n GLU 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1mny h GLU 44 N 0.00 0.24 -0.94 5.31 4.81 -1.96 -1.54 114.58 120.49 1mny h GLU 44 Ca 0.00 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.40 1mny h GLU 44 Cb 0.00 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.24 1mny h GLU 44 CO 0.00 0.16 0.60 -0.39 -0.73 0.00 0.00 179.01 178.65 1mny h VAL 45 N 0.25 0.72 -0.26 0.32 -1.51 -1.95 0.29 116.25 114.11 1mny h VAL 45 Ca 0.33 -0.20 -0.13 0.00 -1.23 0.00 0.00 66.70 65.47 1mny h VAL 45 Cb 0.96 0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1mny h VAL 45 CO -0.07 0.11 -0.34 -0.07 -1.23 0.00 0.00 177.57 175.97 1mny h LEU 46 N 0.60 0.75 -2.50 4.19 4.07 -1.67 -3.15 115.31 117.59 1mny h LEU 46 Ca 0.51 -0.50 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1mny h LEU 46 Cb 0.99 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.52 1mny h LEU 46 CO -0.25 1.10 -0.00 -0.09 -1.08 0.00 0.00 178.44 178.11 1mny h ARG 47 N 0.42 0.00 -0.55 1.13 2.43 -0.58 -2.56 114.38 114.68 1mny h ARG 47 Ca 0.03 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.36 1mny h ARG 47 Cb 0.92 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1mny h ARG 47 CO 0.08 0.00 0.47 0.93 -1.51 0.00 0.00 179.97 179.94 1mny h GLU 48 N 0.00 0.00 -0.43 0.20 4.39 -0.91 -1.38 114.58 116.45 1mny h GLU 48 Ca -0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 1mny h GLU 48 Cb 0.01 0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 28.29 1mny h GLU 48 CO 0.00 0.00 -0.95 1.04 -1.16 0.00 0.00 179.01 177.94 1mny n GLN 49 N -4.02 2.08 -2.24 2.33 1.13 -0.97 -5.08 117.38 110.61 1mny n GLN 49 Ca 0.10 -3.49 -0.41 0.00 -1.94 0.00 0.00 57.00 51.27 1mny n GLN 49 Cb 0.69 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 29.41 1mny n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mny s ALA 50 N -3.16 3.47 -0.97 -1.58 0.00 -0.52 -3.13 121.76 115.87 1mny s ALA 50 Ca 0.37 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 1mny s ALA 50 Cb 0.36 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1mny s ALA 50 CO -0.04 -0.48 0.07 0.41 0.00 0.00 0.00 175.76 175.73 1mny n GLY 51 N 1.11 -0.08 0.00 0.00 0.00 -0.35 -4.86 105.19 101.01 1mny n GLY 51 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1mny n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mny n GLY 52 N -1.05 -0.75 3.57 -0.02 0.00 -1.18 -3.72 105.19 102.04 1mny n GLY 52 Ca -0.12 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1mny n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mny s ASP 53 N -4.00 4.57 0.00 1.61 1.11 -1.26 -2.86 116.67 115.84 1mny s ASP 53 Ca 0.00 -1.19 0.22 0.00 0.18 0.00 0.00 52.55 51.75 1mny s ASP 53 Cb 0.00 -2.58 -0.11 0.00 1.07 0.00 0.00 42.92 41.29 1mny s ASP 53 CO 0.00 -3.49 0.99 0.00 1.18 0.00 0.00 175.17 173.85 1mny n ALA 54 N 15.94 4.35 -0.08 5.23 0.00 -1.11 -4.61 120.51 140.23 1mny n ALA 54 Ca 0.43 -0.60 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 1mny n ALA 54 Cb 0.46 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 1mny n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1mny h THR 55 N 0.68 0.00 -0.59 0.00 2.02 -1.59 -1.71 112.91 111.73 1mny h THR 55 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1mny h THR 55 Cb 0.57 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1mny h THR 55 CO 0.00 0.00 0.21 -0.08 0.37 0.00 0.00 175.52 176.02 1mny h GLU 56 N -0.20 0.87 -0.99 6.66 4.81 -1.90 -1.67 114.58 122.16 1mny h GLU 56 Ca 0.04 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1mny h GLU 56 Cb 0.30 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1mny h GLU 56 CO -0.31 0.73 0.02 0.09 -0.73 0.00 0.00 179.01 178.81 1mny n ASN 57 N -4.31 2.45 0.03 1.04 4.13 -0.71 -3.26 115.26 114.64 1mny n ASN 57 Ca 0.05 -2.07 0.00 0.00 1.68 0.00 0.00 54.58 54.24 1mny n ASN 57 Cb 0.18 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1mny n ASN 57 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1mny n PHE 58 N 0.29 -0.82 -0.05 3.10 7.35 -0.70 -4.81 117.46 121.82 1mny n PHE 58 Ca 0.03 0.13 -0.06 0.00 -0.76 0.00 0.00 57.45 56.79 1mny n PHE 58 Cb 0.48 0.60 0.14 0.00 0.35 0.00 0.00 39.48 41.05 1mny n PHE 58 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1mny h GLU 59 N 0.00 0.67 -0.99 -4.13 4.39 -1.46 -2.30 114.58 110.76 1mny h GLU 59 Ca 0.00 -0.25 0.13 0.00 0.34 0.00 0.00 59.36 59.58 1mny h GLU 59 Cb 0.00 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.52 1mny h GLU 59 CO 0.00 0.83 0.63 0.22 -1.16 0.00 0.00 179.01 179.52 1mny h ASP 60 N 0.60 0.88 0.44 1.42 3.58 -1.78 -0.01 116.42 121.55 1mny h ASP 60 Ca 0.09 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1mny h ASP 60 Cb 0.67 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 1mny h ASP 60 CO 0.05 0.45 -0.05 0.58 -2.88 0.00 0.00 179.24 177.39 1mny h VAL 61 N 0.93 0.22 -5.06 2.25 2.07 -1.68 -3.46 116.25 111.52 1mny h VAL 61 Ca 0.51 -0.35 -0.29 0.00 0.82 0.00 0.00 66.70 67.38 1mny h VAL 61 Cb 0.57 1.28 0.13 0.00 -1.52 0.00 0.00 31.29 31.76 1mny h VAL 61 CO -0.28 0.04 -0.62 0.61 0.02 0.00 0.00 177.57 177.35 1mny n GLY 62 N -0.60 -0.25 0.00 2.17 0.00 -0.02 -4.90 105.19 101.59 1mny n GLY 62 Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 1mny n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1mny h HIS 63 N -1.80 -0.01 -1.24 1.61 3.86 -1.81 -3.47 115.15 112.30 1mny h HIS 63 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1mny h HIS 63 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.77 1mny h HIS 63 CO 0.38 -0.00 0.00 0.45 0.86 0.00 0.00 177.93 179.62 1mny n SER 64 N -2.97 0.00 -0.95 2.45 2.88 -1.26 -5.00 113.62 108.77 1mny n SER 64 Ca 0.00 -0.85 0.02 0.00 -1.33 0.00 0.00 58.87 56.71 1mny n SER 64 Cb 0.00 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.68 1mny n SER 64 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1mny n THR 65 N 0.00 2.39 0.00 2.46 5.66 -1.26 -4.35 114.28 119.18 1mny n THR 65 Ca 0.00 -2.43 0.00 0.00 -3.05 0.00 0.00 64.05 58.57 1mny n THR 65 Cb 0.00 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 1mny n THR 65 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mny n ASP 66 N -0.96 0.50 0.09 1.09 2.03 -1.26 -4.85 116.55 113.19 1mny n ASP 66 Ca 0.27 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.39 1mny n ASP 66 Cb 0.94 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.23 1mny n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mny h ALA 67 N 0.00 0.09 -0.13 -1.67 0.00 -1.95 -3.04 119.26 112.57 1mny h ALA 67 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 1mny h ALA 67 Cb 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1mny h ALA 67 CO 0.00 0.76 -0.08 0.07 0.00 0.00 0.00 179.25 180.00 1mny h ARG 68 N 0.24 0.19 -0.64 0.00 0.11 -1.91 -1.59 114.38 110.77 1mny h ARG 68 Ca -0.16 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 59.81 1mny h ARG 68 Cb 1.85 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 32.87 1mny h ARG 68 CO 0.22 0.28 0.10 1.49 0.10 0.00 0.00 179.97 182.17 1mny h GLU 69 N 0.18 1.05 -0.70 0.08 4.81 -1.86 -2.92 114.58 115.23 1mny h GLU 69 Ca 0.04 -0.27 0.20 0.00 -0.13 0.00 0.00 59.36 59.20 1mny h GLU 69 Cb 0.27 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1mny h GLU 69 CO 0.01 0.97 0.63 -0.07 -0.73 0.00 0.00 179.01 179.82 1mny h LEU 70 N 0.99 0.00 -2.16 1.64 4.07 -1.19 -1.46 115.31 117.20 1mny h LEU 70 Ca 0.20 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.22 1mny h LEU 70 Cb 0.42 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1mny h LEU 70 CO 0.01 0.00 0.22 0.77 -1.08 0.00 0.00 178.44 178.36 1mny h SER 71 N 0.00 0.00 -0.33 -0.43 4.64 -1.53 -2.66 113.55 113.25 1mny h SER 71 Ca 0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 1mny h SER 71 Cb 1.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.66 1mny h SER 71 CO -0.00 0.00 0.18 0.50 -0.87 0.00 0.00 176.83 176.64 1mny h LYS 72 N 0.00 0.49 0.00 4.77 3.64 -1.48 0.02 116.57 124.00 1mny h LYS 72 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1mny h LYS 72 Cb 0.55 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1mny h LYS 72 CO -0.00 0.37 0.00 2.41 -2.27 0.00 0.00 179.45 179.96 1mny n THR 73 N -4.43 1.08 0.50 1.00 -1.04 -1.00 -2.24 114.28 108.15 1mny n THR 73 Ca 0.02 0.30 0.06 0.00 -2.04 0.00 0.00 64.05 62.40 1mny n THR 73 Cb 0.11 -1.15 0.04 0.00 -1.82 0.00 0.00 70.33 67.50 1mny n THR 73 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1mny n TYR 74 N -1.75 0.00 -1.67 -1.42 4.02 -0.05 -4.96 117.16 111.33 1mny n TYR 74 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.49 1mny n TYR 74 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 1mny n TYR 74 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1mny n ILE 75 N 0.50 0.65 -0.35 -0.72 5.41 -0.93 -1.50 119.36 122.43 1mny n ILE 75 Ca 0.07 -0.12 0.07 0.00 1.00 0.00 0.00 62.75 63.77 1mny n ILE 75 Cb 0.29 -2.24 0.20 0.00 -0.71 0.00 0.00 39.64 37.18 1mny n ILE 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1mny n ILE 76 N 5.30 1.24 -1.54 1.39 3.06 -0.29 -4.88 119.36 123.64 1mny n ILE 76 Ca 0.20 -1.14 0.00 0.00 -2.50 0.00 0.00 62.75 59.31 1mny n ILE 76 Cb 0.39 0.37 0.00 0.00 0.54 0.00 0.00 39.64 40.94 1mny n ILE 76 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1mny n GLY 77 N 0.56 0.27 3.82 4.50 0.00 -1.09 -4.49 105.19 108.76 1mny n GLY 77 Ca 0.16 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.65 1mny n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mny s GLU 78 N -2.00 1.66 0.20 1.61 -1.05 -1.16 -1.26 118.70 116.69 1mny s GLU 78 Ca 0.00 -0.95 -0.32 0.00 -0.15 0.00 0.00 54.97 53.55 1mny s GLU 78 Cb 0.00 0.54 -0.12 0.00 -0.44 0.00 0.00 34.13 34.11 1mny s GLU 78 CO 0.00 -0.76 1.72 -0.51 0.95 0.00 0.00 175.26 176.66 1mny s LEU 79 N -2.98 4.37 0.18 1.83 1.43 -1.26 -1.27 118.68 120.99 1mny s LEU 79 Ca 0.13 2.84 -0.33 0.00 -1.03 0.00 0.00 54.13 55.74 1mny s LEU 79 Cb -0.04 -3.60 -0.15 0.00 0.03 0.00 0.00 46.19 42.43 1mny s LEU 79 CO 0.06 -0.97 1.23 1.57 0.23 0.00 0.00 176.35 178.47 1mny n HIS 80 N 4.17 1.49 0.47 0.29 -0.00 -0.34 -4.69 115.22 116.61 1mny n HIS 80 Ca 0.16 0.62 0.12 0.00 -0.00 0.00 0.00 57.72 58.62 1mny n HIS 80 Cb 0.36 -2.32 0.47 0.00 -0.00 0.00 0.00 29.99 28.49 1mny n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1mny n PRO 81 N 1.90 0.20 0.19 1.57 -0.04 -1.26 -1.02 135.00 136.54 1mny n PRO 81 Ca 0.15 0.35 -0.07 0.00 -0.04 0.00 0.00 63.50 63.89 1mny n PRO 81 Cb 0.25 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1mny n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1mny h ASP 82 N 0.00 -0.41 -0.99 3.54 1.82 -1.98 0.25 116.42 118.64 1mny h ASP 82 Ca 0.00 0.01 0.07 0.00 -0.39 0.00 0.00 57.03 56.73 1mny h ASP 82 Cb 0.46 0.11 -0.07 0.00 0.68 0.00 0.00 39.33 40.50 1mny h ASP 82 CO 0.00 -0.25 0.64 -0.78 -1.61 0.00 0.00 179.24 177.24 1mny h ASP 83 N -0.57 1.01 1.26 2.28 1.82 -1.84 -1.49 116.42 118.89 1mny h ASP 83 Ca -0.05 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1mny h ASP 83 Cb 0.37 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1mny h ASP 83 CO 0.08 0.63 -0.13 -1.14 -1.61 0.00 0.00 179.24 177.07 1mny n ARG 84 N -4.52 0.22 0.27 0.28 0.00 -0.18 -0.64 116.66 112.09 1mny n ARG 84 Ca 0.16 0.15 0.16 0.00 -0.00 0.00 0.00 57.85 58.32 1mny n ARG 84 Cb 0.21 -1.73 0.71 0.00 0.00 0.00 0.00 32.46 31.66 1mny n ARG 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1mny h SER 85 N 0.00 0.00 0.55 6.15 0.87 0.60 -3.25 113.55 118.48 1mny h SER 85 Ca 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 1mny h SER 85 Cb 0.70 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 1mny h SER 85 CO 0.00 0.07 -1.61 0.50 -0.53 0.00 0.00 176.83 175.26 1mny h LYS 86 N 0.00 0.01 -6.26 2.24 3.64 -0.72 -3.42 116.57 112.07 1mny h LYS 86 Ca -0.00 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.80 1mny h LYS 86 Cb 0.47 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1mny h LYS 86 CO 0.01 0.59 1.12 0.96 -2.27 0.00 0.00 179.45 179.87 1mny s ILE 87 N -2.61 3.59 0.00 2.00 -5.25 -0.86 -1.98 121.20 116.09 1mny s ILE 87 Ca -0.04 0.70 0.00 0.00 -0.99 0.00 0.00 60.65 60.31 1mny s ILE 87 Cb 0.08 -3.52 0.00 0.00 2.95 0.00 0.00 42.46 41.97 1mny s ILE 87 CO 0.82 -0.15 0.00 0.00 -1.79 0.00 0.00 174.94 173.83 1mny n ALA 88 N 7.87 0.00 -3.78 2.27 0.00 -1.26 -4.88 120.51 120.72 1mny n ALA 88 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 1mny n ALA 88 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 1mny n ALA 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1mny s LYS 89 N 0.00 2.24 -0.66 0.00 0.00 -0.84 -4.96 119.74 115.52 1mny s LYS 89 Ca 0.00 -2.27 -0.26 0.00 0.00 0.00 0.00 55.97 53.44 1mny s LYS 89 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 37.83 34.19 1mny s LYS 89 CO 0.00 -1.12 1.99 -1.25 0.00 0.00 0.00 175.35 174.97 1mny s PRO 90 N 0.36 2.47 -0.72 1.78 0.04 -1.25 -3.74 135.00 133.95 1mny s PRO 90 Ca 0.14 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 1mny s PRO 90 Cb -0.22 -4.58 -0.21 0.00 0.04 0.00 0.00 34.50 29.54 1mny s PRO 90 CO -0.04 -3.04 1.90 0.43 0.04 0.00 0.00 177.00 176.30 1mny n SER 91 N 13.81 -0.79 -0.35 6.66 7.64 -1.26 -5.04 113.62 134.29 1mny n SER 91 Ca 0.28 -1.11 0.25 0.00 1.01 0.00 0.00 58.87 59.31 1mny n SER 91 Cb 0.51 -0.85 0.50 0.00 -1.01 0.00 0.00 64.21 63.36 1mny n SER 91 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1mny h GLU 92 N 10.86 0.31 -6.20 1.43 9.09 -1.91 -3.47 114.58 124.69 1mny h GLU 92 Ca 0.02 -0.02 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 1mny h GLU 92 Cb 1.06 -0.07 0.01 0.00 -1.65 0.00 0.00 28.75 28.10 1mny h GLU 92 CO 1.31 0.20 1.29 -2.37 0.05 0.00 0.00 179.01 179.49 1mny n THR 93 N -4.91 0.56 -1.81 -1.06 5.66 -1.26 -5.04 114.28 106.41 1mny n THR 93 Ca 0.31 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1mny n THR 93 Cb 1.02 -2.23 0.00 0.00 -1.55 0.00 0.00 70.33 67.57 1mny n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02