#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aab n LYS 2 N 0.00 1.89 -0.82 1.61 5.02 -1.26 -4.92 118.16 119.68 1aab n LYS 2 Ca 0.00 -1.00 0.10 0.00 -2.02 0.00 0.00 58.31 55.39 1aab n LYS 2 Cb 0.00 -1.85 -0.05 0.00 -0.02 0.00 0.00 35.03 33.11 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aab n GLY 3 N 2.13 -2.83 2.63 0.72 0.00 -1.26 -4.94 105.19 101.65 1aab n GLY 3 Ca 0.37 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1aab n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aab n ASP 4 N -3.39 -2.24 0.00 1.61 8.00 -1.26 -4.96 116.55 114.30 1aab n ASP 4 Ca -0.04 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.28 1aab n ASP 4 Cb 0.39 1.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.78 1aab n ASP 4 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1aab n PRO 5 N 1.61 0.00 0.00 -0.24 -0.02 -1.26 -0.64 135.00 134.44 1aab n PRO 5 Ca 0.12 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.95 1aab n PRO 5 Cb 0.61 -1.62 0.27 0.00 -0.02 0.00 0.00 33.50 32.73 1aab n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1aab n LYS 6 N -1.29 0.21 -1.69 -0.52 4.76 -1.26 -4.74 118.16 113.64 1aab n LYS 6 Ca 0.00 0.11 -0.44 0.00 -2.87 0.00 0.00 58.31 55.11 1aab n LYS 6 Cb 0.12 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 1aab n LYS 6 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1aab n LYS 7 N -1.16 2.31 -0.59 1.97 4.81 0.19 -4.94 118.16 120.74 1aab n LYS 7 Ca 0.06 0.83 -0.31 0.00 -0.87 0.00 0.00 58.31 58.02 1aab n LYS 7 Cb 0.06 -2.59 0.21 0.00 0.02 0.00 0.00 35.03 32.73 1aab n LYS 7 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1aab n PRO 8 N 3.00 -1.93 0.01 1.64 -0.02 -1.26 -4.89 135.00 131.55 1aab n PRO 8 Ca 0.14 -0.54 0.13 0.00 -2.02 0.00 0.00 63.50 61.22 1aab n PRO 8 Cb 0.32 -1.94 0.52 0.00 -0.02 0.00 0.00 33.50 32.38 1aab n PRO 8 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1aab n ARG 9 N -3.43 0.03 -1.10 -0.52 0.63 -1.26 -4.99 116.66 106.02 1aab n ARG 9 Ca 0.02 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1aab n ARG 9 Cb 0.58 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aab n GLY 10 N 1.48 -2.31 3.52 5.14 0.00 -1.26 -4.79 105.19 106.97 1aab n GLY 10 Ca 0.06 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1aab n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aab n LYS 11 N 0.29 0.36 -1.06 1.61 2.85 -1.26 -4.86 118.16 116.10 1aab n LYS 11 Ca 0.00 -0.04 -0.34 0.00 -1.05 0.00 0.00 58.31 56.88 1aab n LYS 11 Cb 0.00 -2.19 0.11 0.00 -0.65 0.00 0.00 35.03 32.30 1aab n LYS 11 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1aab n MET 12 N 8.49 0.09 -1.72 -1.58 2.81 -1.26 -4.96 117.12 118.98 1aab n MET 12 Ca 0.56 0.09 -0.31 0.00 -1.81 0.00 0.00 57.70 56.23 1aab n MET 12 Cb 0.22 -2.13 0.04 0.00 -0.71 0.00 0.00 33.22 30.64 1aab n MET 12 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1aab s SER 13 N -1.93 5.62 0.59 7.83 0.01 -1.26 -4.76 113.70 119.80 1aab s SER 13 Ca 0.67 1.44 0.29 0.00 1.31 0.00 0.00 55.95 59.66 1aab s SER 13 Cb -0.29 -2.36 1.73 0.00 0.21 0.00 0.00 66.02 65.31 1aab s SER 13 CO 0.57 -1.27 2.18 0.77 0.41 0.00 0.00 173.24 175.90 1aab h SER 14 N -0.60 0.00 0.01 2.44 4.64 -1.93 -1.23 113.55 116.88 1aab h SER 14 Ca -0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1aab h SER 14 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1aab h SER 14 CO 0.60 0.00 -0.01 0.22 -0.87 0.00 0.00 176.83 176.77 1aab h TYR 15 N 0.00 -0.02 -0.39 4.77 3.20 -1.90 -3.15 116.97 119.48 1aab h TYR 15 Ca 0.04 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1aab h TYR 15 Cb 0.22 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1aab h TYR 15 CO 0.00 0.78 0.42 0.00 -1.64 0.00 0.00 178.16 177.72 1aab h ALA 16 N -0.01 2.10 -0.15 1.82 0.00 -1.69 0.45 119.26 121.78 1aab h ALA 16 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1aab h ALA 16 Cb 0.80 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1aab h ALA 16 CO 0.00 -0.62 -0.53 0.74 0.00 0.00 0.00 179.25 178.84 1aab h PHE 17 N 0.00 0.55 0.00 0.00 0.04 -1.22 -0.59 116.94 115.71 1aab h PHE 17 Ca 0.19 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1aab h PHE 17 Cb 1.02 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1aab h PHE 17 CO 0.00 0.88 0.00 0.35 -0.60 0.00 0.00 178.31 178.94 1aab h PHE 18 N 0.34 0.00 0.08 -0.55 3.04 -0.11 -2.83 116.94 116.91 1aab h PHE 18 Ca 0.01 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.80 1aab h PHE 18 Cb 1.05 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.56 1aab h PHE 18 CO 0.03 0.00 -0.80 0.28 -2.02 0.00 0.00 178.31 175.80 1aab h VAL 19 N 0.00 1.39 -0.02 1.41 2.07 -0.62 -1.49 116.25 118.99 1aab h VAL 19 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1aab h VAL 19 Cb 0.75 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1aab h VAL 19 CO 0.00 0.63 0.03 0.06 0.02 0.00 0.00 177.57 178.31 1aab h GLN 20 N -0.62 0.00 0.08 1.57 -0.00 -1.13 1.36 115.11 116.37 1aab h GLN 20 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.22 1aab h GLN 20 Cb 1.45 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.92 1aab h GLN 20 CO 0.04 0.00 -1.22 1.15 -0.00 0.00 0.00 178.83 178.80 1aab h THR 21 N 0.00 1.50 0.00 1.86 2.02 -1.48 -3.01 112.91 113.81 1aab h THR 21 Ca 0.01 -3.14 0.00 0.00 0.77 0.00 0.00 66.41 64.04 1aab h THR 21 Cb 0.07 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1aab h THR 21 CO -0.00 0.90 -0.36 -0.24 0.37 0.00 0.00 175.52 176.18 1aab n SER 22 N -3.44 0.60 0.10 4.18 2.88 0.12 -3.73 113.62 114.34 1aab n SER 22 Ca -0.07 0.22 -0.05 0.00 -1.33 0.00 0.00 58.87 57.65 1aab n SER 22 Cb 1.00 -0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 64.28 1aab n SER 22 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1aab h ARG 23 N 0.00 -0.31 -0.42 -1.46 2.43 0.16 -0.37 114.38 114.41 1aab h ARG 23 Ca 0.00 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 1aab h ARG 23 Cb 0.67 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1aab h ARG 23 CO 0.00 -0.21 0.39 0.93 -1.51 0.00 0.00 179.97 179.57 1aab h GLU 24 N -0.91 0.00 0.00 0.20 5.08 -1.68 0.53 114.58 117.80 1aab h GLU 24 Ca -0.03 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1aab h GLU 24 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1aab h GLU 24 CO 0.05 0.00 -0.84 0.93 -1.00 0.00 0.00 179.01 178.15 1aab h GLU 25 N 0.00 0.00 0.02 2.33 5.08 -1.64 -3.31 114.58 117.06 1aab h GLU 25 Ca 0.20 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.32 1aab h GLU 25 Cb 0.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1aab h GLU 25 CO -0.00 0.46 -1.21 1.25 -1.00 0.00 0.00 179.01 178.50 1aab h HIS 26 N 0.00 0.07 0.00 4.33 -0.00 0.17 -3.21 115.15 116.51 1aab h HIS 26 Ca -0.06 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1aab h HIS 26 Cb 1.47 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.88 1aab h HIS 26 CO 0.00 1.05 0.00 1.17 -0.00 0.00 0.00 177.93 180.15 1aab n LYS 27 N -3.30 0.04 0.00 5.26 4.81 0.25 -1.26 118.16 123.95 1aab n LYS 27 Ca -0.06 0.26 0.13 0.00 -0.87 0.00 0.00 58.31 57.78 1aab n LYS 27 Cb 0.98 -1.50 0.51 0.00 0.02 0.00 0.00 35.03 35.04 1aab n LYS 27 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1aab n LYS 28 N -1.29 0.18 -2.66 1.64 5.02 -1.21 -4.37 118.16 115.46 1aab n LYS 28 Ca 0.01 -0.06 -0.06 0.00 -2.02 0.00 0.00 58.31 56.19 1aab n LYS 28 Cb 0.02 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.36 1.07 -2.92 1.97 2.85 -0.39 -5.03 118.16 114.35 1aab n LYS 29 Ca 0.09 -1.55 -0.14 0.00 -1.05 0.00 0.00 58.31 55.66 1aab n LYS 29 Cb 0.32 0.03 -0.00 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 -0.72 -2.37 0.05 5.58 8.25 -1.15 -5.02 115.22 119.84 1aab n HIS 30 Ca -0.08 -2.34 -0.03 0.00 -0.26 0.00 0.00 57.72 55.00 1aab n HIS 30 Cb 0.82 0.90 -0.01 0.00 1.12 0.00 0.00 29.99 32.82 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 4.23 -0.19 -0.01 -0.41 0.13 -1.90 -3.34 132.00 130.51 1aab h PRO 31 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1aab h PRO 31 Cb 0.99 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1aab h PRO 31 CO 0.33 -0.13 0.00 -0.25 -0.23 0.00 0.00 178.00 177.73 1aab n ASP 32 N -3.87 0.09 0.18 1.44 8.00 -1.26 -3.60 116.55 117.54 1aab n ASP 32 Ca -0.02 -1.46 0.14 0.00 0.71 0.00 0.00 54.79 54.15 1aab n ASP 32 Cb 0.08 -0.01 0.61 0.00 -0.02 0.00 0.00 41.12 41.78 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 3.58 1.00 -5.94 2.24 0.00 -1.96 -3.47 119.26 114.72 1aab h ALA 33 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1aab h ALA 33 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1aab h ALA 33 CO 0.00 0.00 -0.75 0.43 0.00 0.00 0.00 179.25 178.93 1aab n SER 34 N -2.49 -6.67 -4.58 0.00 7.64 -1.24 -4.71 113.62 101.58 1aab n SER 34 Ca 0.01 -0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1aab n SER 34 Cb 0.20 -3.59 -0.07 0.00 -1.01 0.00 0.00 64.21 59.74 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 -2.34 3.45 -1.29 0.44 1.01 -1.26 -4.65 120.40 115.76 1aab s VAL 35 Ca 0.22 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1aab s VAL 35 Cb -0.04 -4.35 0.20 0.00 0.00 0.00 0.00 36.38 32.18 1aab s VAL 35 CO 0.82 -0.85 0.95 0.59 0.00 0.00 0.00 175.10 176.62 1aab n ASN 36 N 15.04 1.74 -3.78 3.32 5.03 -1.26 -4.84 115.26 130.51 1aab n ASN 36 Ca 0.44 -2.14 -0.29 0.00 0.87 0.00 0.00 54.58 53.45 1aab n ASN 36 Cb 0.47 -0.38 0.01 0.00 -1.02 0.00 0.00 39.78 38.86 1aab n ASN 36 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1aab n PHE 37 N 0.12 -2.09 0.00 3.10 7.35 -1.26 -4.65 117.46 120.03 1aab n PHE 37 Ca 0.07 0.77 0.00 0.00 -0.76 0.00 0.00 57.45 57.53 1aab n PHE 37 Cb 0.36 -3.63 0.00 0.00 0.35 0.00 0.00 39.48 36.56 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1aab n SER 38 N -2.66 0.00 0.04 -2.13 2.88 -1.26 -4.75 113.62 105.73 1aab n SER 38 Ca 0.03 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.68 1aab n SER 38 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1aab n GLU 39 N -1.46 0.45 -0.09 -1.46 -0.58 -1.26 -4.11 120.64 112.12 1aab n GLU 39 Ca 0.00 -0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.56 1aab n GLU 39 Cb 0.00 -1.63 -0.10 0.00 -0.57 0.00 0.00 31.44 29.14 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1aab h PHE 40 N 0.00 0.00 0.00 -0.32 3.57 -1.88 -3.31 116.94 115.00 1aab h PHE 40 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1aab h PHE 40 Cb 0.86 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1aab h PHE 40 CO 0.00 1.09 0.17 0.77 -2.23 0.00 0.00 178.31 178.11 1aab h SER 41 N -1.00 0.00 -0.25 0.41 0.02 -1.86 0.38 113.55 111.25 1aab h SER 41 Ca -0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 1aab h SER 41 Cb 1.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1aab h SER 41 CO -0.12 0.00 -0.04 0.50 -1.14 0.00 0.00 176.83 176.03 1aab h LYS 42 N 0.00 0.60 0.01 3.45 3.64 -1.71 0.13 116.57 122.68 1aab h LYS 42 Ca 0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1aab h LYS 42 Cb 0.35 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1aab h LYS 42 CO 0.00 0.65 -0.01 0.87 -2.27 0.00 0.00 179.45 178.70 1aab h LYS 43 N 0.56 -0.01 -0.51 1.90 6.56 -0.41 -3.05 116.57 121.61 1aab h LYS 43 Ca 0.11 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.76 1aab h LYS 43 Cb 0.42 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.06 1aab h LYS 43 CO 0.02 0.79 0.34 0.00 -2.06 0.00 0.00 179.45 178.54 1aab h SER 45 N 0.49 0.08 0.26 0.00 0.87 -0.81 0.27 113.55 114.70 1aab h SER 45 Ca 0.22 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1aab h SER 45 Cb 0.25 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1aab h SER 45 CO -0.06 0.11 0.00 1.21 -0.53 0.00 0.00 176.83 177.56 1aab n GLU 46 N -5.01 0.07 -0.00 2.24 2.13 -0.65 -1.02 120.64 118.40 1aab n GLU 46 Ca -0.06 0.26 0.08 0.00 0.66 0.00 0.00 57.16 58.10 1aab n GLU 46 Cb 0.06 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.16 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 -1.39 1.10 -0.07 5.31 0.63 -0.01 -4.40 116.66 117.82 1aab n ARG 47 Ca 0.04 -0.05 -0.07 0.00 -0.92 0.00 0.00 57.85 56.84 1aab n ARG 47 Cb 0.10 -1.34 -0.02 0.00 0.45 0.00 0.00 32.46 31.64 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 -1.63 0.00 0.21 -0.14 -0.00 0.73 -4.36 117.44 112.26 1aab n TRP 48 Ca 0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.59 1aab n TRP 48 Cb 0.33 -0.41 0.40 0.00 -0.00 0.00 0.00 31.31 31.62 1aab n TRP 48 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1aab h LYS 49 N -0.83 0.00 0.12 5.87 1.57 -1.32 0.13 116.57 122.12 1aab h LYS 49 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1aab h LYS 49 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1aab h LYS 49 CO 0.00 0.00 -1.39 0.00 -0.57 0.00 0.00 179.45 177.49 1aab h THR 50 N 0.00 1.32 -2.17 -0.16 1.03 -1.77 -3.47 112.91 107.69 1aab h THR 50 Ca 0.00 -2.92 -0.22 0.00 -0.01 0.00 0.00 66.41 63.26 1aab h THR 50 Cb 0.80 2.85 0.13 0.00 -1.07 0.00 0.00 68.15 70.86 1aab h THR 50 CO 0.00 0.85 -0.10 0.23 -0.01 0.00 0.00 175.52 176.49 1aab n MET 51 N -3.49 -3.69 -4.11 0.00 2.81 0.46 -5.04 117.12 104.05 1aab n MET 51 Ca -0.13 -0.88 -0.23 0.00 -1.81 0.00 0.00 57.70 54.66 1aab n MET 51 Cb 1.04 -1.13 -0.06 0.00 -0.71 0.00 0.00 33.22 32.35 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 -2.68 4.85 0.58 7.83 0.15 -1.26 -4.96 113.70 118.20 1aab s SER 52 Ca 0.40 -0.63 0.29 0.00 0.70 0.00 0.00 55.95 56.72 1aab s SER 52 Cb -0.07 -0.89 1.46 0.00 -1.71 0.00 0.00 66.02 64.81 1aab s SER 52 CO 0.34 -0.19 1.88 0.00 1.20 0.00 0.00 173.24 176.46 1aab h ALA 53 N 1.59 2.34 0.88 5.45 0.00 -1.96 -0.62 119.26 126.93 1aab h ALA 53 Ca -0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 53 Cb 1.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1aab h ALA 53 CO 0.61 -0.83 -0.49 0.87 0.00 0.00 0.00 179.25 179.42 1aab h LYS 54 N 0.00 -1.22 -0.40 0.00 1.57 -1.97 0.93 116.57 115.48 1aab h LYS 54 Ca 0.27 0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 59.08 1aab h LYS 54 Cb 1.34 0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 1aab h LYS 54 CO -0.00 -0.81 0.05 0.93 -0.57 0.00 0.00 179.45 179.04 1aab h GLU 55 N -1.26 0.67 0.00 3.15 5.08 -1.70 0.08 114.58 120.59 1aab h GLU 55 Ca -0.12 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1aab h GLU 55 Cb 0.99 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1aab h GLU 55 CO 0.15 0.73 0.00 1.63 -1.00 0.00 0.00 179.01 180.52 1aab n LYS 56 N -4.51 0.53 0.10 2.33 5.02 -0.33 -2.01 118.16 119.29 1aab n LYS 56 Ca -0.01 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 1aab n LYS 56 Cb 0.25 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.61 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 2.66 0.50 2.00 0.72 0.00 0.30 -2.40 103.07 106.85 1aab h GLY 57 Ca 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 47.33 45.98 1aab h GLY 57 CO 0.00 1.12 -0.32 1.70 0.00 0.00 0.00 176.54 179.03 1aab h LYS 58 N 0.12 0.00 0.00 4.80 3.11 -1.30 -2.39 116.57 120.91 1aab h LYS 58 Ca -0.31 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.42 1aab h LYS 58 Cb 2.12 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.33 1aab h LYS 58 CO 0.21 0.32 -0.62 0.74 -2.81 0.00 0.00 179.45 177.30 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.60 -2.72 116.94 114.57 1aab h PHE 59 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1aab h PHE 59 Cb 0.94 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.08 1aab h PHE 59 CO 0.00 0.52 -0.10 0.93 -0.60 0.00 0.00 178.31 179.06 1aab h GLU 60 N 0.00 0.00 0.03 1.51 4.39 -0.99 -2.57 114.58 116.95 1aab h GLU 60 Ca -0.02 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.42 1aab h GLU 60 Cb 1.41 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.08 1aab h GLU 60 CO 0.06 0.10 -1.05 0.22 -1.16 0.00 0.00 179.01 177.18 1aab h ASP 61 N 0.00 0.74 -0.13 1.42 1.82 -1.12 -2.52 116.42 116.64 1aab h ASP 61 Ca -0.00 -0.62 -0.02 0.00 -0.39 0.00 0.00 57.03 56.00 1aab h ASP 61 Cb 0.85 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.63 1aab h ASP 61 CO 0.01 1.42 -0.02 0.24 -1.61 0.00 0.00 179.24 179.29 1aab h MET 62 N 0.30 0.23 -0.26 0.28 2.86 -1.40 -1.84 114.93 115.11 1aab h MET 62 Ca -0.12 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1aab h MET 62 Cb 1.70 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.33 1aab h MET 62 CO 0.19 0.50 0.24 0.00 1.06 0.00 0.00 176.91 178.90 1aab h ALA 63 N 0.72 2.02 -0.09 6.32 0.00 -1.50 0.42 119.26 127.14 1aab h ALA 63 Ca 0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1aab h ALA 63 Cb 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1aab h ALA 63 CO 0.01 -0.37 -0.65 -0.22 0.00 0.00 0.00 179.25 178.02 1aab h LYS 64 N 0.00 0.36 -0.33 0.00 3.64 -0.90 -1.94 116.57 117.40 1aab h LYS 64 Ca 0.12 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 1aab h LYS 64 Cb 0.59 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1aab h LYS 64 CO -0.00 0.89 -0.37 0.00 -2.27 0.00 0.00 179.45 177.69 1aab h ALA 65 N 1.05 0.71 -0.10 5.00 0.00 0.51 -2.28 119.26 124.15 1aab h ALA 65 Ca -0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1aab h ALA 65 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1aab h ALA 65 CO 0.11 0.66 -0.23 0.22 0.00 0.00 0.00 179.25 180.01 1aab h ASP 66 N 0.64 0.16 -0.78 0.00 1.82 -0.95 -2.19 116.42 115.13 1aab h ASP 66 Ca 0.06 -0.04 0.12 0.00 -0.39 0.00 0.00 57.03 56.78 1aab h ASP 66 Cb 0.92 -0.04 -0.08 0.00 0.68 0.00 0.00 39.33 40.81 1aab h ASP 66 CO 0.08 0.40 0.38 0.50 -1.61 0.00 0.00 179.24 179.00 1aab h LYS 67 N 0.15 0.57 -0.21 0.28 3.11 -0.75 0.45 116.57 120.18 1aab h LYS 67 Ca 0.03 -0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.69 1aab h LYS 67 Cb 0.50 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1aab h LYS 67 CO 0.03 0.38 -0.47 0.00 -2.81 0.00 0.00 179.45 176.59 1aab h ALA 68 N 1.50 0.79 0.00 5.00 0.00 -1.35 -2.44 119.26 122.75 1aab h ALA 68 Ca 0.41 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1aab h ALA 68 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1aab h ALA 68 CO -0.33 0.66 -0.19 0.00 0.00 0.00 0.00 179.25 179.40 1aab h ARG 69 N 0.44 0.00 0.15 0.00 2.47 -0.79 -0.48 114.38 116.17 1aab h ARG 69 Ca 0.03 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.53 1aab h ARG 69 Cb 0.99 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.33 1aab h ARG 69 CO 0.09 0.19 -0.95 -0.92 0.56 0.00 0.00 179.97 178.94 1aab h TYR 70 N 0.00 0.59 -0.16 3.04 5.03 -0.70 -3.30 116.97 121.47 1aab h TYR 70 Ca -0.00 -0.43 -0.21 0.00 2.58 0.00 0.00 58.73 60.67 1aab h TYR 70 Cb 0.49 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.76 1aab h TYR 70 CO 0.00 1.36 -0.72 0.93 -1.32 0.00 0.00 178.16 178.41 1aab h GLU 71 N -0.31 0.77 -0.69 1.82 5.08 -1.33 -2.99 114.58 116.93 1aab h GLU 71 Ca -0.17 -0.62 0.19 0.00 -1.00 0.00 0.00 59.36 57.77 1aab h GLU 71 Cb 1.72 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.06 1aab h GLU 71 CO 0.16 1.23 0.49 0.00 -1.00 0.00 0.00 179.01 179.89 1aab h ARG 72 N 0.50 0.05 0.12 2.33 2.47 -1.23 0.33 114.38 118.95 1aab h ARG 72 Ca -0.04 -0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.40 1aab h ARG 72 Cb 1.35 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.66 1aab h ARG 72 CO 0.15 0.04 -1.29 0.93 0.56 0.00 0.00 179.97 180.36 1aab h GLU 73 N 0.06 0.24 0.00 0.04 5.08 -1.61 -3.19 114.58 115.20 1aab h GLU 73 Ca 0.33 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1aab h GLU 73 Cb 1.25 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1aab h GLU 73 CO -0.02 1.17 0.00 -1.33 -1.00 0.00 0.00 179.01 177.83 1aab n MET 74 N -3.50 0.12 0.00 2.33 2.81 0.09 -2.82 117.12 116.15 1aab n MET 74 Ca -0.09 0.20 0.01 0.00 -1.81 0.00 0.00 57.70 56.01 1aab n MET 74 Cb 1.02 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 32.09 1aab n MET 74 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1aab n LYS 75 N -1.28 0.06 0.00 0.03 3.00 -1.10 -2.86 118.16 116.00 1aab n LYS 75 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1aab n LYS 75 Cb 0.07 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.62 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1aab n THR 76 N -0.98 0.00 0.00 3.15 5.66 -1.13 -5.06 114.28 115.92 1aab n THR 76 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1aab n THR 76 Cb 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 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 -2.95 1.09 9.36 -1.14 -4.99 117.16 118.54 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 0.34 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.04 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 -5.33 -0.84 2.97 -0.00 -1.26 -4.95 119.36 109.94 1aab n ILE 78 Ca 0.00 0.99 -0.28 0.00 -0.00 0.00 0.00 62.75 63.46 1aab n ILE 78 Cb 0.00 -4.07 0.22 0.00 -0.00 0.00 0.00 39.64 35.79 1aab n ILE 78 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1aab s PRO 79 N -0.53 -0.50 0.00 0.38 0.05 -1.26 -5.02 135.00 128.11 1aab s PRO 79 Ca -0.07 0.59 0.00 0.00 0.05 0.00 0.00 61.00 61.57 1aab s PRO 79 Cb 0.00 -1.62 0.00 0.00 0.05 0.00 0.00 34.50 32.93 1aab s PRO 79 CO 0.28 -3.38 0.00 -0.35 0.05 0.00 0.00 177.00 173.60 1aab n PRO 80 N -4.64 0.07 -0.48 0.56 -0.04 -1.26 -4.77 135.00 124.44 1aab n PRO 80 Ca 0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1aab n PRO 80 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1aab n PRO 80 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1aab n LYS 81 N -0.65 1.07 -0.79 0.54 5.02 -1.26 -4.69 118.16 117.40 1aab n LYS 81 Ca 0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1aab n LYS 81 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aab n GLY 82 N 1.29 0.00 0.00 0.72 0.00 -1.26 -5.28 105.19 100.66 1aab n GLY 82 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11