#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab s LYS 2 N 0.00 2.68 0.00 1.61 -0.14 -1.26 -4.38 119.74 118.25 1aab s LYS 2 Ca 0.00 1.27 0.00 0.00 -1.36 0.00 0.00 55.97 55.88 1aab s LYS 2 Cb 0.00 -4.41 0.00 0.00 -1.68 0.00 0.00 37.83 31.74 1aab s LYS 2 CO 0.00 -2.63 0.00 0.41 -0.76 0.00 0.00 175.35 172.37 1aab n GLY 3 N 5.75 0.00 3.74 -3.33 0.00 -1.26 -5.16 105.19 104.94 1aab n GLY 3 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1aab n GLY 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aab s ASP 4 N 0.00 4.91 -1.15 1.61 1.01 -1.26 -4.83 116.67 116.96 1aab s ASP 4 Ca 0.00 2.45 -0.23 0.00 0.71 0.00 0.00 52.55 55.47 1aab s ASP 4 Cb 0.00 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 1aab s ASP 4 CO 0.00 -1.79 1.97 -2.16 0.21 0.00 0.00 175.17 173.40 1aab s PRO 5 N -3.42 2.28 -1.27 8.23 0.04 -1.26 -4.09 135.00 135.51 1aab s PRO 5 Ca 0.78 -0.98 -0.12 0.00 0.04 0.00 0.00 61.00 60.73 1aab s PRO 5 Cb -0.32 -5.19 -0.00 0.00 0.04 0.00 0.00 34.50 29.03 1aab s PRO 5 CO 0.36 -4.20 0.61 1.63 0.04 0.00 0.00 177.00 175.44 1aab n LYS 6 N 8.31 -2.21 -2.03 4.56 4.76 -1.26 -4.80 118.16 125.49 1aab n LYS 6 Ca 0.44 0.41 -0.42 0.00 -2.87 0.00 0.00 58.31 55.87 1aab n LYS 6 Cb 0.47 -4.22 -0.03 0.00 -1.84 0.00 0.00 35.03 29.41 1aab n LYS 6 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1aab s LYS 7 N -6.35 4.27 0.88 1.97 2.20 -1.26 -4.97 119.74 116.46 1aab s LYS 7 Ca 0.24 2.26 -0.15 0.00 -0.36 0.00 0.00 55.97 57.97 1aab s LYS 7 Cb -0.09 -3.16 0.23 0.00 -1.51 0.00 0.00 37.83 33.29 1aab s LYS 7 CO 0.88 -0.48 0.57 -0.35 -0.36 0.00 0.00 175.35 175.61 1aab n PRO 8 N 3.24 -3.46 0.21 4.03 -0.04 -1.26 -4.97 135.00 132.75 1aab n PRO 8 Ca 0.10 -0.94 -0.09 0.00 -0.04 0.00 0.00 63.50 62.53 1aab n PRO 8 Cb 0.40 -1.13 -0.04 0.00 -0.04 0.00 0.00 33.50 32.69 1aab n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aab h ARG 9 N 0.00 -0.54 0.00 0.54 3.08 -1.94 -3.47 114.38 112.05 1aab h ARG 9 Ca -0.25 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1aab h ARG 9 Cb 0.81 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1aab h ARG 9 CO 0.15 -0.36 0.00 0.41 -1.07 0.00 0.00 179.97 179.10 1aab n GLY 10 N -0.27 0.00 3.75 0.04 0.00 -1.26 -4.97 105.19 102.49 1aab n GLY 10 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1aab n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aab n LYS 11 N 0.00 -4.08 -1.04 1.61 4.81 -1.26 -4.89 118.16 113.32 1aab n LYS 11 Ca 0.00 0.55 -0.34 0.00 -0.87 0.00 0.00 58.31 57.65 1aab n LYS 11 Cb 0.00 -4.92 0.10 0.00 0.02 0.00 0.00 35.03 30.23 1aab n LYS 11 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1aab n MET 12 N -4.27 0.03 -2.53 1.64 2.81 -1.26 -4.96 117.12 108.58 1aab n MET 12 Ca -0.28 0.07 -0.23 0.00 -1.81 0.00 0.00 57.70 55.44 1aab n MET 12 Cb 0.67 -1.97 0.08 0.00 -0.71 0.00 0.00 33.22 31.29 1aab n MET 12 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1aab s SER 13 N -1.83 4.65 0.36 7.83 1.04 -1.26 -4.77 113.70 119.72 1aab s SER 13 Ca 0.64 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 57.01 1aab s SER 13 Cb -0.28 -0.43 0.69 0.00 0.10 0.00 0.00 66.02 66.10 1aab s SER 13 CO 0.60 -1.64 1.90 0.28 0.98 0.00 0.00 173.24 175.37 1aab h SER 14 N -0.39 0.39 0.15 7.02 0.02 -1.92 -1.64 113.55 117.17 1aab h SER 14 Ca -0.39 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 1aab h SER 14 Cb 1.28 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1aab h SER 14 CO 0.46 0.48 -0.07 0.22 -1.14 0.00 0.00 176.83 176.78 1aab h TYR 15 N 0.40 -0.19 -0.42 3.45 3.20 -1.94 -2.91 116.97 118.57 1aab h TYR 15 Ca 0.09 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.08 1aab h TYR 15 Cb 0.32 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1aab h TYR 15 CO 0.01 0.26 0.44 0.00 -1.64 0.00 0.00 178.16 177.23 1aab h ALA 16 N -0.13 2.14 -0.13 1.82 0.00 -1.90 0.48 119.26 121.54 1aab h ALA 16 Ca -0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1aab h ALA 16 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1aab h ALA 16 CO 0.03 -0.66 -0.62 0.74 0.00 0.00 0.00 179.25 178.75 1aab h PHE 17 N 0.00 0.59 0.00 0.00 0.04 -1.11 -2.39 116.94 114.06 1aab h PHE 17 Ca 0.20 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1aab h PHE 17 Cb 1.08 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1aab h PHE 17 CO 0.00 0.95 0.00 0.35 -0.60 0.00 0.00 178.31 179.01 1aab h PHE 18 N 0.34 0.00 0.05 -0.55 3.04 0.08 -3.00 116.94 116.89 1aab h PHE 18 Ca -0.01 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 1aab h PHE 18 Cb 1.16 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.68 1aab h PHE 18 CO 0.04 0.00 -0.33 0.28 -2.02 0.00 0.00 178.31 176.29 1aab h VAL 19 N 0.00 1.65 0.00 1.41 2.07 -0.78 0.15 116.25 120.75 1aab h VAL 19 Ca 0.00 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 1aab h VAL 19 Cb 0.70 3.20 -0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1aab h VAL 19 CO 0.00 0.63 -0.02 0.06 0.02 0.00 0.00 177.57 178.26 1aab h GLN 20 N -0.69 0.00 0.11 1.57 3.07 -1.46 1.06 115.11 118.77 1aab h GLN 20 Ca -0.05 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.40 1aab h GLN 20 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.77 1aab h GLN 20 CO 0.06 0.02 -1.41 1.15 0.09 0.00 0.00 178.83 178.74 1aab h THR 21 N 0.00 1.29 0.00 1.86 2.02 -1.43 -2.90 112.91 113.74 1aab h THR 21 Ca -0.00 -2.92 0.00 0.00 0.77 0.00 0.00 66.41 64.26 1aab h THR 21 Cb 0.11 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1aab h THR 21 CO 0.00 0.84 -0.35 -1.20 0.37 0.00 0.00 175.52 175.18 1aab n SER 22 N -3.46 0.37 0.06 4.18 7.64 0.52 -3.68 113.62 119.25 1aab n SER 22 Ca -0.13 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.53 1aab n SER 22 Cb 1.03 0.01 -0.15 0.00 -1.01 0.00 0.00 64.21 64.10 1aab n SER 22 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1aab h ARG 23 N 0.00 0.35 -0.79 1.43 2.43 0.10 -3.05 114.38 114.85 1aab h ARG 23 Ca 0.00 -0.61 -0.03 0.00 -0.81 0.00 0.00 59.98 58.53 1aab h ARG 23 Cb 0.52 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 1aab h ARG 23 CO 0.00 1.29 0.36 1.49 -1.51 0.00 0.00 179.97 181.60 1aab h GLU 24 N -0.06 1.14 0.00 0.20 4.81 -1.61 0.96 114.58 120.02 1aab h GLU 24 Ca -0.31 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1aab h GLU 24 Cb 1.96 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 31.13 1aab h GLU 24 CO 0.15 0.89 -0.24 1.05 -0.73 0.00 0.00 179.01 180.13 1aab h GLU 25 N 1.13 0.00 0.03 1.92 -0.00 -1.68 -3.11 114.58 112.87 1aab h GLU 25 Ca 0.27 0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 59.37 1aab h GLU 25 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.86 1aab h GLU 25 CO -0.03 0.24 -1.35 1.25 -0.00 0.00 0.00 179.01 179.11 1aab h HIS 26 N 0.00 0.12 0.00 2.06 2.76 -1.20 -3.26 115.15 115.64 1aab h HIS 26 Ca -0.00 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1aab h HIS 26 Cb 0.86 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.81 1aab h HIS 26 CO 0.00 1.10 0.00 -0.22 -1.30 0.00 0.00 177.93 177.51 1aab h LYS 27 N 0.02 0.00 0.00 5.26 3.64 -0.77 -1.06 116.57 123.66 1aab h LYS 27 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1aab h LYS 27 Cb 1.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1aab h LYS 27 CO 0.12 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.93 1aab n LYS 28 N -2.45 0.11 -2.63 1.90 5.02 -1.23 -4.18 118.16 114.71 1aab n LYS 28 Ca -0.02 0.09 -0.05 0.00 -2.02 0.00 0.00 58.31 56.32 1aab n LYS 28 Cb 0.06 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.67 1aab n LYS 28 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1aab n LYS 29 N -1.43 1.09 -2.98 1.97 2.85 -0.42 -5.04 118.16 114.20 1aab n LYS 29 Ca 0.07 -1.42 -0.16 0.00 -1.05 0.00 0.00 58.31 55.75 1aab n LYS 29 Cb 0.25 0.12 -0.01 0.00 -0.65 0.00 0.00 35.03 34.73 1aab n LYS 29 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1aab n HIS 30 N -0.87 -1.76 0.12 5.58 8.25 -1.10 -4.98 115.22 120.46 1aab n HIS 30 Ca -0.10 -2.72 -0.19 0.00 -0.26 0.00 0.00 57.72 54.45 1aab n HIS 30 Cb 0.82 0.55 -0.14 0.00 1.12 0.00 0.00 29.99 32.34 1aab n HIS 30 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1aab h PRO 31 N 3.99 0.38 -0.00 -0.41 0.13 -1.89 -3.28 132.00 130.92 1aab h PRO 31 Ca -0.03 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1aab h PRO 31 Cb 0.95 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1aab h PRO 31 CO 0.40 1.29 -0.01 -0.25 -0.23 0.00 0.00 178.00 179.20 1aab n ASP 32 N -3.62 0.49 0.16 1.44 8.00 -1.26 -3.60 116.55 118.15 1aab n ASP 32 Ca -0.11 -1.09 0.06 0.00 0.71 0.00 0.00 54.79 54.36 1aab n ASP 32 Cb 1.04 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 42.19 1aab n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aab h ALA 33 N 4.06 0.77 -6.09 2.24 0.00 -1.97 -3.48 119.26 114.79 1aab h ALA 33 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 54.34 1aab h ALA 33 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1aab h ALA 33 CO 0.00 0.42 -0.62 0.43 0.00 0.00 0.00 179.25 179.49 1aab n SER 34 N -3.15 -6.28 -4.55 0.00 7.64 -1.24 -4.70 113.62 101.34 1aab n SER 34 Ca 0.02 -0.46 -0.28 0.00 1.01 0.00 0.00 58.87 59.15 1aab n SER 34 Cb 0.67 -3.39 -0.04 0.00 -1.01 0.00 0.00 64.21 60.44 1aab n SER 34 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1aab s VAL 35 N -2.88 3.01 -1.80 0.44 1.01 -1.26 -4.70 120.40 114.22 1aab s VAL 35 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 61.98 62.17 1aab s VAL 35 Cb -0.01 -3.02 0.47 0.00 0.00 0.00 0.00 36.38 33.82 1aab s VAL 35 CO 0.83 -0.02 1.37 0.59 0.00 0.00 0.00 175.10 177.87 1aab n ASN 36 N 16.86 2.93 -2.88 3.32 3.02 -1.26 -4.89 115.26 132.36 1aab n ASN 36 Ca 0.40 -2.08 -0.20 0.00 -0.03 0.00 0.00 54.58 52.66 1aab n ASN 36 Cb 0.51 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 39.31 1aab n ASN 36 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1aab n PHE 37 N 0.92 -1.65 0.00 3.10 -0.00 -1.26 -4.63 117.46 113.94 1aab n PHE 37 Ca 0.17 0.32 0.00 0.00 -0.00 0.00 0.00 57.45 57.94 1aab n PHE 37 Cb 0.49 -3.72 0.00 0.00 -0.00 0.00 0.00 39.48 36.25 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1aab n SER 38 N -2.25 0.00 0.08 -2.13 2.88 -1.26 -4.70 113.62 106.23 1aab n SER 38 Ca -0.12 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.43 1aab n SER 38 Cb 0.61 0.09 -0.04 0.00 -0.75 0.00 0.00 64.21 64.13 1aab n SER 38 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1aab h GLU 39 N 0.00 0.00 0.06 -1.46 5.08 -1.91 -3.29 114.58 113.06 1aab h GLU 39 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1aab h GLU 39 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1aab h GLU 39 CO 0.00 0.36 -0.44 0.35 -1.00 0.00 0.00 179.01 178.28 1aab h PHE 40 N 0.00 0.23 -0.47 4.33 3.57 -1.88 -3.26 116.94 119.46 1aab h PHE 40 Ca -0.09 -0.17 0.14 0.00 3.53 0.00 0.00 57.97 61.37 1aab h PHE 40 Cb 1.48 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.19 1aab h PHE 40 CO 0.00 1.17 0.42 0.66 -2.23 0.00 0.00 178.31 178.33 1aab h SER 41 N -0.72 0.00 -0.30 0.41 4.64 -1.84 0.66 113.55 116.40 1aab h SER 41 Ca -0.09 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1aab h SER 41 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1aab h SER 41 CO 0.05 0.00 0.20 0.50 -0.87 0.00 0.00 176.83 176.72 1aab h LYS 42 N 0.00 0.23 0.07 4.77 3.64 -1.62 0.14 116.57 123.80 1aab h LYS 42 Ca 0.22 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1aab h LYS 42 Cb 1.06 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1aab h LYS 42 CO -0.00 0.15 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.07 1aab h LYS 43 N 0.24 -0.09 -0.67 1.90 3.64 0.18 -3.12 116.57 118.65 1aab h LYS 43 Ca 0.13 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1aab h LYS 43 Cb 0.22 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1aab h LYS 43 CO -0.02 0.46 0.44 0.00 -2.27 0.00 0.00 179.45 178.05 1aab h SER 45 N 0.66 0.00 0.35 0.00 0.87 -0.79 0.68 113.55 115.32 1aab h SER 45 Ca 0.29 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1aab h SER 45 Cb 0.29 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1aab h SER 45 CO -0.09 0.04 0.00 1.21 -0.53 0.00 0.00 176.83 177.45 1aab n GLU 46 N -5.10 0.13 -0.00 2.24 2.13 -0.45 -1.22 120.64 118.37 1aab n GLU 46 Ca 0.00 0.49 0.09 0.00 0.66 0.00 0.00 57.16 58.41 1aab n GLU 46 Cb 0.14 -1.81 -0.12 0.00 0.27 0.00 0.00 31.44 29.93 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1aab n ARG 47 N -2.06 0.50 -0.07 5.31 0.63 0.16 -4.40 116.66 116.72 1aab n ARG 47 Ca 0.01 -0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 56.84 1aab n ARG 47 Cb 0.12 -1.44 -0.03 0.00 0.45 0.00 0.00 32.46 31.57 1aab n ARG 47 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1aab n TRP 48 N -1.53 0.00 0.13 -0.14 -0.00 0.19 -4.34 117.44 111.75 1aab n TRP 48 Ca 0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.58 1aab n TRP 48 Cb 0.33 -0.43 0.24 0.00 -0.00 0.00 0.00 31.31 31.44 1aab n TRP 48 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1aab n LYS 49 N -4.32 0.06 0.04 5.87 5.02 -0.39 -0.44 118.16 124.00 1aab n LYS 49 Ca -0.12 0.49 -0.16 0.00 -2.02 0.00 0.00 58.31 56.51 1aab n LYS 49 Cb 0.45 -2.05 -0.14 0.00 -0.02 0.00 0.00 35.03 33.27 1aab n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aab h THR 50 N 0.00 1.04 -2.68 -0.18 1.03 -1.77 -3.47 112.91 106.88 1aab h THR 50 Ca 0.00 -2.74 -0.32 0.00 -0.01 0.00 0.00 66.41 63.34 1aab h THR 50 Cb 0.70 2.67 0.19 0.00 -1.07 0.00 0.00 68.15 70.64 1aab h THR 50 CO 0.00 0.78 -0.16 0.23 -0.01 0.00 0.00 175.52 176.36 1aab n MET 51 N -3.38 -4.50 -4.18 0.00 2.81 0.42 -5.04 117.12 103.24 1aab n MET 51 Ca -0.18 -1.28 -0.23 0.00 -1.81 0.00 0.00 57.70 54.20 1aab n MET 51 Cb 1.04 -1.68 -0.06 0.00 -0.71 0.00 0.00 33.22 31.81 1aab n MET 51 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1aab s SER 52 N -2.94 4.74 0.64 7.83 0.15 -1.26 -4.96 113.70 117.90 1aab s SER 52 Ca 0.59 -0.65 0.24 0.00 0.70 0.00 0.00 55.95 56.83 1aab s SER 52 Cb -0.10 -0.87 1.23 0.00 -1.71 0.00 0.00 66.02 64.57 1aab s SER 52 CO 0.49 -0.14 1.69 0.00 1.20 0.00 0.00 173.24 176.49 1aab h ALA 53 N 1.68 1.85 0.53 5.45 0.00 -1.96 -0.65 119.26 126.17 1aab h ALA 53 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1aab h ALA 53 Cb 1.25 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1aab h ALA 53 CO 0.62 -0.70 -0.34 0.87 0.00 0.00 0.00 179.25 179.70 1aab h LYS 54 N 0.00 -0.79 -0.31 0.00 1.57 -1.98 0.98 116.57 116.05 1aab h LYS 54 Ca 0.11 0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 1aab h LYS 54 Cb 1.27 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.76 1aab h LYS 54 CO -0.00 -0.53 -0.40 0.93 -0.57 0.00 0.00 179.45 178.88 1aab h GLU 55 N -0.82 0.82 0.00 3.15 5.08 -1.64 -2.20 114.58 118.96 1aab h GLU 55 Ca -0.07 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1aab h GLU 55 Cb 0.66 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1aab h GLU 55 CO 0.07 1.10 0.00 1.63 -1.00 0.00 0.00 179.01 180.81 1aab n LYS 56 N -4.13 0.21 0.11 2.33 5.02 -0.37 -2.05 118.16 119.28 1aab n LYS 56 Ca -0.04 0.14 -0.23 0.00 -2.02 0.00 0.00 58.31 56.17 1aab n LYS 56 Cb 0.55 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.90 1aab n LYS 56 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1aab h GLY 57 N 2.47 0.51 2.00 0.72 0.00 0.17 -2.32 103.07 106.62 1aab h GLY 57 Ca 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.00 1aab h GLY 57 CO 0.00 1.14 -0.13 1.70 0.00 0.00 0.00 176.54 179.24 1aab h LYS 58 N 0.12 0.00 0.00 4.80 3.11 -1.35 -2.41 116.57 120.84 1aab h LYS 58 Ca -0.28 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.47 1aab h LYS 58 Cb 2.12 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.34 1aab h LYS 58 CO 0.22 0.13 -0.76 0.74 -2.81 0.00 0.00 179.45 176.97 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.55 -2.98 116.94 114.36 1aab h PHE 59 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1aab h PHE 59 Cb 0.79 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 1aab h PHE 59 CO 0.00 0.33 -0.14 0.93 -0.60 0.00 0.00 178.31 178.83 1aab h GLU 60 N 0.00 0.00 0.10 1.51 4.39 -0.98 -2.21 114.58 117.40 1aab h GLU 60 Ca -0.05 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.39 1aab h GLU 60 Cb 1.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1aab h GLU 60 CO 0.04 0.14 -1.18 0.22 -1.16 0.00 0.00 179.01 177.06 1aab h ASP 61 N 0.00 0.37 -0.03 1.42 1.82 -1.30 -2.45 116.42 116.25 1aab h ASP 61 Ca -0.00 -0.39 -0.05 0.00 -0.39 0.00 0.00 57.03 56.20 1aab h ASP 61 Cb 0.99 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1aab h ASP 61 CO 0.02 1.29 -0.18 0.24 -1.61 0.00 0.00 179.24 179.00 1aab h MET 62 N 0.07 0.18 -0.10 0.28 2.86 -1.42 -2.16 114.93 114.63 1aab h MET 62 Ca -0.11 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1aab h MET 62 Cb 1.91 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 33.60 1aab h MET 62 CO 0.19 0.81 0.08 0.00 1.06 0.00 0.00 176.91 179.05 1aab h ALA 63 N 0.37 1.99 -0.01 6.32 0.00 -1.49 0.29 119.26 126.73 1aab h ALA 63 Ca -0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1aab h ALA 63 Cb 0.85 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1aab h ALA 63 CO 0.04 -0.13 -0.62 -0.22 0.00 0.00 0.00 179.25 178.31 1aab h LYS 64 N 0.00 0.02 -0.13 0.00 3.64 -1.26 -1.83 116.57 117.02 1aab h LYS 64 Ca 0.05 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1aab h LYS 64 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1aab h LYS 64 CO -0.00 0.64 -0.42 0.00 -2.27 0.00 0.00 179.45 177.39 1aab h ALA 65 N 1.36 0.23 0.00 5.00 0.00 0.17 -2.70 119.26 123.31 1aab h ALA 65 Ca -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1aab h ALA 65 Cb 1.11 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1aab h ALA 65 CO 0.08 0.35 -0.13 0.22 0.00 0.00 0.00 179.25 179.77 1aab h ASP 66 N 0.13 0.00 -0.58 0.00 3.58 -1.04 -1.67 116.42 116.84 1aab h ASP 66 Ca -0.02 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.45 1aab h ASP 66 Cb 1.05 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 1aab h ASP 66 CO 0.09 0.13 0.36 0.50 -2.88 0.00 0.00 179.24 177.44 1aab h LYS 67 N 0.00 0.70 -0.29 0.28 3.11 -1.00 -1.40 116.57 117.97 1aab h LYS 67 Ca -0.00 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.71 1aab h LYS 67 Cb 0.28 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 1aab h LYS 67 CO 0.02 0.46 -0.19 0.00 -2.81 0.00 0.00 179.45 176.93 1aab h ALA 68 N 1.24 1.13 0.00 5.00 0.00 -1.23 -1.65 119.26 123.75 1aab h ALA 68 Ca 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1aab h ALA 68 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1aab h ALA 68 CO -0.08 0.54 -0.10 0.00 0.00 0.00 0.00 179.25 179.61 1aab h ARG 69 N 0.48 0.00 0.00 0.00 2.47 -1.07 -0.99 114.38 115.27 1aab h ARG 69 Ca 0.08 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1aab h ARG 69 Cb 0.60 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1aab h ARG 69 CO 0.04 0.10 -0.07 -0.92 0.56 0.00 0.00 179.97 179.69 1aab h TYR 70 N 0.00 0.00 -0.73 3.04 3.20 -0.39 -3.19 116.97 118.90 1aab h TYR 70 Ca -0.00 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1aab h TYR 70 Cb 0.36 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1aab h TYR 70 CO 0.00 0.36 0.48 0.93 -1.64 0.00 0.00 178.16 178.29 1aab h GLU 71 N -1.00 0.76 -0.76 1.82 5.08 -1.31 -0.89 114.58 118.28 1aab h GLU 71 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1aab h GLU 71 Cb 0.39 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1aab h GLU 71 CO -0.01 0.50 0.49 0.00 -1.00 0.00 0.00 179.01 179.00 1aab h ARG 72 N 0.78 1.01 0.00 2.33 2.47 -1.30 -2.24 114.38 117.43 1aab h ARG 72 Ca 0.31 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1aab h ARG 72 Cb 0.23 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1aab h ARG 72 CO -0.10 0.69 -0.15 0.39 0.56 0.00 0.00 179.97 181.35 1aab n GLU 73 N -4.54 0.25 0.17 0.04 1.02 -0.72 -3.40 120.64 113.46 1aab n GLU 73 Ca 0.07 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1aab n GLU 73 Cb 0.03 -1.75 0.43 0.00 -0.02 0.00 0.00 31.44 30.13 1aab n GLU 73 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1aab h MET 74 N 0.00 0.00 -0.19 3.49 2.86 -0.56 -2.14 114.93 118.39 1aab h MET 74 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1aab h MET 74 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1aab h MET 74 CO 0.00 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 1aab n LYS 75 N -2.61 0.73 0.00 1.72 5.02 -1.19 -3.15 118.16 118.69 1aab n LYS 75 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1aab n LYS 75 Cb 0.38 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1aab n THR 76 N -0.34 0.00 0.00 -0.18 5.66 -1.14 -5.05 114.28 113.23 1aab n THR 76 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1aab n THR 76 Cb 0.05 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 1aab n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1aab n TYR 77 N 0.00 0.00 -2.99 1.09 9.36 -0.82 -4.99 117.16 118.81 1aab n TYR 77 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 1aab n TYR 77 Cb 0.18 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.88 1aab n TYR 77 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1aab n ILE 78 N 0.00 -5.43 -0.59 2.97 -0.00 -1.26 -4.94 119.36 110.11 1aab n ILE 78 Ca 0.00 0.98 -0.28 0.00 -0.00 0.00 0.00 62.75 63.45 1aab n ILE 78 Cb 0.00 -4.24 0.25 0.00 -0.00 0.00 0.00 39.64 35.65 1aab n ILE 78 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 1aab s PRO 79 N -0.93 -1.09 0.00 0.38 0.02 -1.26 -5.02 135.00 127.10 1aab s PRO 79 Ca -0.03 0.71 0.00 0.00 0.02 0.00 0.00 61.00 61.70 1aab s PRO 79 Cb 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 34.50 32.98 1aab s PRO 79 CO 0.28 -3.80 0.00 -0.35 -0.33 0.00 0.00 177.00 172.79 1aab n PRO 80 N -4.96 1.42 -1.80 5.54 -0.04 -1.26 -4.69 135.00 129.21 1aab n PRO 80 Ca 0.03 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 1aab n PRO 80 Cb 0.55 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 1aab n PRO 80 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1aab s LYS 81 N 0.00 1.74 -0.44 0.54 -0.14 -1.26 -4.47 119.74 115.71 1aab s LYS 81 Ca 0.00 -0.70 0.06 0.00 -1.36 0.00 0.00 55.97 53.96 1aab s LYS 81 Cb 0.00 -5.08 0.32 0.00 -1.68 0.00 0.00 37.83 31.38 1aab s LYS 81 CO 0.00 -4.83 1.15 0.41 -0.76 0.00 0.00 175.35 171.32 1aab n GLY 82 N 6.04 0.26 0.00 -3.33 0.00 -1.26 -5.35 105.19 101.55 1aab n GLY 82 Ca 0.43 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50