#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 -3.43 0.00 1.61 5.02 -1.26 -4.77 118.16 115.33 1aab n LYS 2 Ca 0.00 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.17 1aab n LYS 2 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 -3.51 1.92 2.72 0.72 0.00 -1.26 -5.00 105.19 100.77 1aab n GLY 3 Ca 0.10 0.40 -0.08 0.00 0.00 0.00 0.00 46.02 46.44 1aab n GLY 3 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1aab n ASP 4 N 0.00 -2.13 0.00 1.61 2.03 -1.26 -4.98 116.55 111.82 1aab n ASP 4 Ca 0.00 -3.23 0.00 0.00 0.52 0.00 0.00 54.79 52.08 1aab n ASP 4 Cb 0.00 1.65 0.00 0.00 -0.72 0.00 0.00 41.12 42.05 1aab n ASP 4 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1aab n PRO 5 N 0.14 0.00 -0.66 -0.67 -0.04 -1.26 -4.42 135.00 128.08 1aab n PRO 5 Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 1aab n PRO 5 Cb 0.74 -0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.28 1aab n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1aab n LYS 6 N 0.00 1.67 -1.71 0.54 4.01 -1.26 -4.97 118.16 116.44 1aab n LYS 6 Ca 0.00 -1.59 -0.58 0.00 -0.51 0.00 0.00 58.31 55.63 1aab n LYS 6 Cb 0.00 -1.62 -0.07 0.00 -0.51 0.00 0.00 35.03 32.82 1aab n LYS 6 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1aab n LYS 7 N -0.33 1.08 -1.94 1.97 3.00 -1.26 -4.77 118.16 115.91 1aab n LYS 7 Ca 0.32 0.40 -0.27 0.00 -0.00 0.00 0.00 58.31 58.75 1aab n LYS 7 Cb 1.08 -2.07 -0.07 0.00 0.00 0.00 0.00 35.03 33.98 1aab n LYS 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1aab n PRO 8 N 5.30 1.39 -0.28 1.64 -0.04 -1.26 -4.68 135.00 137.07 1aab n PRO 8 Ca 0.27 -2.33 -0.04 0.00 -0.04 0.00 0.00 63.50 61.35 1aab n PRO 8 Cb 0.12 -3.71 0.05 0.00 -0.04 0.00 0.00 33.50 29.92 1aab n PRO 8 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1aab n ARG 9 N 8.19 1.43 -0.90 0.54 1.85 -1.26 -4.86 116.66 121.65 1aab n ARG 9 Ca 0.45 -0.74 0.00 0.00 -1.00 0.00 0.00 57.85 56.55 1aab n ARG 9 Cb 0.46 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 1aab n ARG 9 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aab n GLY 10 N 0.11 -2.36 2.00 2.89 0.00 -1.26 -4.92 105.19 101.65 1aab n GLY 10 Ca 0.13 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 0.37 0.00 -1.92 1.61 -0.00 -1.26 -4.87 118.16 112.09 1aab n LYS 11 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 1aab n LYS 11 Cb 0.00 -0.64 0.03 0.00 -0.00 0.00 0.00 35.03 34.42 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1aab s MET 12 N -0.47 3.07 0.75 -1.58 -1.94 -1.26 -5.05 119.30 112.83 1aab s MET 12 Ca 0.40 1.32 -0.06 0.00 -1.71 0.00 0.00 55.69 55.64 1aab s MET 12 Cb -0.58 -1.99 0.16 0.00 2.01 0.00 0.00 34.83 34.42 1aab s MET 12 CO 0.33 -1.02 1.02 -1.13 -0.01 0.00 0.00 175.02 174.21 1aab n SER 13 N -2.17 0.81 0.16 3.03 3.41 -1.26 -4.77 113.62 112.83 1aab n SER 13 Ca 0.10 -1.81 0.01 0.00 -0.26 0.00 0.00 58.87 56.90 1aab n SER 13 Cb 0.52 -0.71 0.29 0.00 -0.26 0.00 0.00 64.21 64.05 1aab n SER 13 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1aab h SER 14 N -0.93 0.02 0.02 4.04 4.64 -1.92 -2.14 113.55 117.27 1aab h SER 14 Ca -0.33 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1aab h SER 14 Cb 1.10 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1aab h SER 14 CO 0.31 0.47 -0.01 0.22 -0.87 0.00 0.00 176.83 176.94 1aab h TYR 15 N 0.01 -0.03 -0.37 4.77 3.20 -1.93 -3.02 116.97 119.61 1aab h TYR 15 Ca -0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.97 1aab h TYR 15 Cb 0.81 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1aab h TYR 15 CO 0.00 0.70 0.36 0.00 -1.64 0.00 0.00 178.16 177.59 1aab h ALA 16 N 0.07 2.11 -0.04 1.82 0.00 -1.92 0.48 119.26 121.78 1aab h ALA 16 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1aab h ALA 16 Cb 0.74 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1aab h ALA 16 CO 0.00 -0.56 -0.68 0.74 0.00 0.00 0.00 179.25 178.76 1aab h PHE 17 N 0.00 0.25 0.00 0.00 -1.00 -1.32 -1.24 116.94 113.63 1aab h PHE 17 Ca 0.18 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1aab h PHE 17 Cb 0.90 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.42 1aab h PHE 17 CO 0.00 0.81 0.00 0.35 -1.61 0.00 0.00 178.31 177.86 1aab h PHE 18 N 0.13 0.00 0.06 -0.55 3.04 0.02 -2.89 116.94 116.76 1aab h PHE 18 Ca -0.02 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 1aab h PHE 18 Cb 1.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.73 1aab h PHE 18 CO 0.02 0.00 -0.62 0.28 -2.02 0.00 0.00 178.31 175.97 1aab h VAL 19 N 0.00 1.49 -0.04 1.41 2.07 -0.61 -1.57 116.25 119.00 1aab h VAL 19 Ca 0.00 -2.40 0.01 0.00 0.82 0.00 0.00 66.70 65.13 1aab h VAL 19 Cb 0.79 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1aab h VAL 19 CO 0.00 0.63 0.06 0.06 0.02 0.00 0.00 177.57 178.34 1aab h GLN 20 N -0.69 0.00 0.05 1.57 -0.00 -1.25 1.34 115.11 116.14 1aab h GLN 20 Ca -0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.28 1aab h GLN 20 Cb 1.36 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.83 1aab h GLN 20 CO 0.04 0.00 -1.13 1.15 -0.00 0.00 0.00 178.83 178.89 1aab h THR 21 N 0.00 1.60 0.00 1.86 2.02 -1.48 -2.80 112.91 114.11 1aab h THR 21 Ca 0.02 -3.25 0.00 0.00 0.77 0.00 0.00 66.41 63.95 1aab h THR 21 Cb 0.15 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1aab h THR 21 CO -0.00 0.93 -0.35 -1.28 0.37 0.00 0.00 175.52 175.19 1aab h SER 22 N 0.03 0.00 -0.02 4.18 0.87 0.10 -3.23 113.55 115.48 1aab h SER 22 Ca -0.07 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 1aab h SER 22 Cb 1.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 1aab h SER 22 CO 0.16 0.04 -0.20 -0.09 -0.53 0.00 0.00 176.83 176.21 1aab h ARG 23 N 0.00 0.18 0.00 2.24 2.43 0.16 0.80 114.38 120.19 1aab h ARG 23 Ca 0.00 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 1aab h ARG 23 Cb 0.81 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1aab h ARG 23 CO 0.00 0.85 -0.22 1.49 -1.51 0.00 0.00 179.97 180.58 1aab h GLU 24 N -0.44 0.00 0.00 0.20 4.81 -1.59 0.13 114.58 117.70 1aab h GLU 24 Ca -0.02 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1aab h GLU 24 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1aab h GLU 24 CO 0.04 0.22 -0.63 0.93 -0.73 0.00 0.00 179.01 178.84 1aab h GLU 25 N 0.00 0.00 0.13 1.92 5.08 -1.56 -3.33 114.58 116.83 1aab h GLU 25 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1aab h GLU 25 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1aab h GLU 25 CO 0.03 0.20 -1.51 1.25 -1.00 0.00 0.00 179.01 177.98 1aab h HIS 26 N 0.00 0.51 0.00 4.33 2.76 0.13 -3.23 115.15 119.65 1aab h HIS 26 Ca -0.03 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1aab h HIS 26 Cb 1.22 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1aab h HIS 26 CO 0.00 1.40 0.00 1.17 -1.30 0.00 0.00 177.93 179.20 1aab n LYS 27 N -3.49 0.00 0.00 5.26 4.81 -0.06 -0.90 118.16 123.78 1aab n LYS 27 Ca -0.16 0.48 0.13 0.00 -0.87 0.00 0.00 58.31 57.90 1aab n LYS 27 Cb 1.05 -1.50 0.50 0.00 0.02 0.00 0.00 35.03 35.09 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 -1.49 0.38 -2.68 1.64 5.02 -1.22 -4.34 118.16 115.47 1aab n LYS 28 Ca 0.00 -0.15 -0.03 0.00 -2.02 0.00 0.00 58.31 56.11 1aab n LYS 28 Cb 0.01 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.18 1.34 -2.93 1.97 2.85 -0.08 -5.02 118.16 115.11 1aab n LYS 29 Ca 0.10 -1.38 -0.15 0.00 -1.05 0.00 0.00 58.31 55.83 1aab n LYS 29 Cb 0.31 0.29 0.00 0.00 -0.65 0.00 0.00 35.03 34.98 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 -1.34 -2.14 0.04 5.58 8.25 -1.02 -4.99 115.22 119.61 1aab n HIS 30 Ca -0.14 -2.49 -0.19 0.00 -0.26 0.00 0.00 57.72 54.63 1aab n HIS 30 Cb 0.87 0.79 -0.10 0.00 1.12 0.00 0.00 29.99 32.67 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 4.00 0.67 -0.03 -0.41 0.13 -1.88 -3.31 132.00 131.17 1aab h PRO 31 Ca -0.06 -0.72 -0.18 0.00 -0.87 0.00 0.00 66.00 64.17 1aab h PRO 31 Cb 0.97 0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1aab h PRO 31 CO 0.38 1.30 -0.76 -0.44 -0.23 0.00 0.00 178.00 178.25 1aab h ASP 32 N 0.38 0.27 -0.64 1.44 5.19 -2.01 -3.25 116.42 117.81 1aab h ASP 32 Ca -0.12 -0.19 0.04 0.00 -0.62 0.00 0.00 57.03 56.14 1aab h ASP 32 Cb 1.68 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 41.06 1aab h ASP 32 CO 0.20 0.94 0.37 0.00 -3.12 0.00 0.00 179.24 177.63 1aab h ALA 33 N 1.05 0.84 0.00 3.45 0.00 -1.97 -3.44 119.26 119.19 1aab h ALA 33 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1aab h ALA 33 Cb 1.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1aab h ALA 33 CO 0.12 0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.87 1aab n SER 34 N -4.76 0.00 -3.19 0.00 7.64 -1.23 -4.07 113.62 108.01 1aab n SER 34 Ca 0.07 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.77 1aab n SER 34 Cb 0.13 -1.67 0.02 0.00 -1.01 0.00 0.00 64.21 61.68 1aab n SER 34 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1aab n VAL 35 N -2.00 -6.11 0.83 0.44 0.31 -1.26 -4.84 118.33 105.70 1aab n VAL 35 Ca 0.00 0.59 0.03 0.00 -0.01 0.00 0.00 64.34 64.96 1aab n VAL 35 Cb 0.00 -4.69 0.12 0.00 -0.91 0.00 0.00 33.84 28.36 1aab n VAL 35 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1aab n ASN 36 N 0.26 1.90 -3.99 4.52 3.02 -1.26 -4.86 115.26 114.85 1aab n ASN 36 Ca -0.01 -2.14 -0.32 0.00 -0.03 0.00 0.00 54.58 52.07 1aab n ASN 36 Cb 0.50 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1aab n ASN 36 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1aab n PHE 37 N 0.22 -2.03 -1.96 3.10 3.72 -1.26 -4.65 117.46 114.59 1aab n PHE 37 Ca 0.09 0.82 0.00 0.00 -0.05 0.00 0.00 57.45 58.31 1aab n PHE 37 Cb 0.37 -3.46 0.00 0.00 -0.94 0.00 0.00 39.48 35.45 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1aab n SER 38 N -2.71 0.00 0.00 4.37 2.88 -1.26 -4.89 113.62 112.02 1aab n SER 38 Ca 0.06 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 1aab n SER 38 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1aab n SER 38 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1aab n GLU 39 N 0.00 2.33 -0.06 -1.46 2.13 -1.26 -4.92 120.64 117.40 1aab n GLU 39 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1aab n GLU 39 Cb 0.49 -0.19 -0.01 0.00 0.27 0.00 0.00 31.44 31.99 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1aab h PHE 40 N 0.00 0.00 -0.00 4.31 3.57 -1.93 -3.32 116.94 119.57 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 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1aab h PHE 40 CO 0.00 0.09 0.41 0.66 -2.23 0.00 0.00 178.31 177.24 1aab h SER 41 N -1.00 0.00 -0.29 0.41 4.64 -1.93 0.56 113.55 115.95 1aab h SER 41 Ca -0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1aab h SER 41 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1aab h SER 41 CO -0.01 0.00 0.01 0.11 -0.87 0.00 0.00 176.83 176.08 1aab h LYS 42 N 0.00 0.61 0.00 4.77 1.79 -1.92 0.58 116.57 122.41 1aab h LYS 42 Ca 0.00 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1aab h LYS 42 Cb 0.82 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1aab h LYS 42 CO -0.00 0.63 -0.00 0.87 -1.08 0.00 0.00 179.45 179.86 1aab h LYS 43 N 0.59 -0.00 -0.85 3.15 1.57 -0.01 -3.00 116.57 118.02 1aab h LYS 43 Ca 0.12 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1aab h LYS 43 Cb 0.35 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1aab h LYS 43 CO 0.01 0.89 0.55 0.00 -0.57 0.00 0.00 179.45 180.33 1aab h SER 45 N 0.94 0.22 0.35 0.00 0.87 -0.96 0.60 113.55 115.58 1aab h SER 45 Ca 0.37 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1aab h SER 45 Cb 0.22 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1aab h SER 45 CO -0.13 0.17 0.00 1.21 -0.53 0.00 0.00 176.83 177.55 1aab n GLU 46 N -4.96 0.02 -0.00 2.24 2.13 -0.40 -0.78 120.64 118.89 1aab n GLU 46 Ca -0.01 0.35 0.09 0.00 0.66 0.00 0.00 57.16 58.25 1aab n GLU 46 Cb 0.07 -1.54 -0.11 0.00 0.27 0.00 0.00 31.44 30.13 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 -1.58 0.99 -0.07 5.31 0.63 0.97 -4.43 116.66 118.48 1aab n ARG 47 Ca 0.02 -0.04 -0.12 0.00 -0.92 0.00 0.00 57.85 56.80 1aab n ARG 47 Cb 0.12 -1.36 -0.04 0.00 0.45 0.00 0.00 32.46 31.63 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 -1.57 0.00 0.14 -0.14 -0.00 0.17 -4.33 117.44 111.71 1aab n TRP 48 Ca 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.57 1aab n TRP 48 Cb 0.32 -0.51 0.27 0.00 -0.00 0.00 0.00 31.31 31.40 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 -4.18 0.07 0.03 5.87 5.02 0.04 -0.47 118.16 124.54 1aab n LYS 49 Ca -0.20 0.52 -0.16 0.00 -2.02 0.00 0.00 58.31 56.44 1aab n LYS 49 Cb 0.52 -2.07 -0.14 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.92 -2.66 -0.18 1.03 -1.77 -3.48 112.91 106.77 1aab h THR 50 Ca 0.00 -2.63 -0.32 0.00 -0.01 0.00 0.00 66.41 63.45 1aab h THR 50 Cb 0.68 2.60 0.19 0.00 -1.07 0.00 0.00 68.15 70.55 1aab h THR 50 CO 0.00 0.77 -0.15 0.23 -0.01 0.00 0.00 175.52 176.35 1aab n MET 51 N -3.37 -4.47 -4.04 0.00 2.81 0.38 -5.02 117.12 103.41 1aab n MET 51 Ca -0.21 -1.26 -0.29 0.00 -1.81 0.00 0.00 57.70 54.12 1aab n MET 51 Cb 1.05 -1.66 -0.06 0.00 -0.71 0.00 0.00 33.22 31.84 1aab n MET 51 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1aab s SER 52 N -2.93 5.67 0.60 7.83 0.01 -1.26 -4.95 113.70 118.68 1aab s SER 52 Ca 0.58 0.00 0.28 0.00 1.31 0.00 0.00 55.95 58.12 1aab s SER 52 Cb -0.10 -1.55 1.27 0.00 0.21 0.00 0.00 66.02 65.84 1aab s SER 52 CO 0.49 0.13 1.67 0.00 0.41 0.00 0.00 173.24 175.94 1aab h ALA 53 N 2.95 2.44 0.03 1.44 0.00 -1.95 0.41 119.26 124.57 1aab h ALA 53 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1aab h ALA 53 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1aab h ALA 53 CO 0.66 -1.10 -0.01 0.87 0.00 0.00 0.00 179.25 179.67 1aab h LYS 54 N 0.00 -0.03 0.14 0.00 1.57 -1.97 0.96 116.57 117.24 1aab h LYS 54 Ca 0.31 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1aab h LYS 54 Cb 1.83 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.15 1aab h LYS 54 CO -0.00 0.07 -0.07 0.93 -0.57 0.00 0.00 179.45 179.81 1aab h GLU 55 N -0.13 -0.19 0.00 3.15 5.08 -0.62 -1.40 114.58 120.47 1aab h GLU 55 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1aab h GLU 55 Cb 0.12 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1aab h GLU 55 CO 0.01 0.20 0.00 1.63 -1.00 0.00 0.00 179.01 179.84 1aab n LYS 56 N -4.99 0.14 -0.03 2.33 5.02 -0.49 -2.23 118.16 117.92 1aab n LYS 56 Ca -0.09 0.14 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 1aab n LYS 56 Cb 0.24 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.07 -0.04 2.00 0.72 0.00 0.21 -1.72 103.07 105.31 1aab h GLY 57 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1aab h GLY 57 CO 0.00 -0.01 -0.01 0.07 0.00 0.00 0.00 176.54 176.59 1aab h LYS 58 N -0.78 0.00 0.00 4.80 2.10 -1.38 -0.35 116.57 120.96 1aab h LYS 58 Ca -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1aab h LYS 58 Cb 0.70 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1aab h LYS 58 CO 0.01 0.01 -0.36 0.74 -2.00 0.00 0.00 179.45 177.85 1aab h PHE 59 N 0.00 0.00 0.00 0.07 0.04 -1.54 -2.70 116.94 112.81 1aab h PHE 59 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1aab h PHE 59 Cb 0.42 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 1aab h PHE 59 CO 0.00 0.32 -0.21 1.49 -0.60 0.00 0.00 178.31 179.31 1aab h GLU 60 N 0.00 0.00 0.09 1.51 4.22 -0.11 -2.35 114.58 117.94 1aab h GLU 60 Ca -0.01 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.16 1aab h GLU 60 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1aab h GLU 60 CO 0.04 0.21 -1.34 0.22 -2.18 0.00 0.00 179.01 175.96 1aab h ASP 61 N 0.00 0.29 -0.14 1.04 1.82 -1.19 -2.86 116.42 115.39 1aab h ASP 61 Ca -0.00 -0.36 -0.08 0.00 -0.39 0.00 0.00 57.03 56.20 1aab h ASP 61 Cb 0.95 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.86 1aab h ASP 61 CO 0.03 1.29 -0.24 0.24 -1.61 0.00 0.00 179.24 178.95 1aab h MET 62 N 0.05 0.40 -0.31 0.28 2.86 -1.34 0.64 114.93 117.51 1aab h MET 62 Ca -0.16 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1aab h MET 62 Cb 1.95 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.62 1aab h MET 62 CO 0.16 0.84 0.14 0.00 1.06 0.00 0.00 176.91 179.12 1aab h ALA 63 N 0.56 1.68 -0.35 6.32 0.00 -1.54 0.56 119.26 126.48 1aab h ALA 63 Ca 0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1aab h ALA 63 Cb 0.82 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1aab h ALA 63 CO 0.05 0.27 -0.34 -0.22 0.00 0.00 0.00 179.25 179.01 1aab h LYS 64 N 0.42 0.85 0.00 0.00 3.64 -1.25 -0.25 116.57 119.98 1aab h LYS 64 Ca 0.11 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 1aab h LYS 64 Cb 0.06 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1aab h LYS 64 CO -0.01 1.09 -0.23 0.00 -2.27 0.00 0.00 179.45 178.02 1aab h ALA 65 N 0.75 1.06 -0.02 5.00 0.00 0.36 -2.17 119.26 124.23 1aab h ALA 65 Ca 0.06 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 1aab h ALA 65 Cb 0.93 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1aab h ALA 65 CO 0.09 0.29 -0.86 0.22 0.00 0.00 0.00 179.25 178.99 1aab h ASP 66 N 0.00 0.46 -0.95 0.00 3.58 0.61 -2.73 116.42 117.39 1aab h ASP 66 Ca -0.00 -0.35 0.17 0.00 0.42 0.00 0.00 57.03 57.27 1aab h ASP 66 Cb 0.70 -0.14 -0.10 0.00 1.72 0.00 0.00 39.33 41.51 1aab h ASP 66 CO 0.03 1.13 0.55 0.50 -2.88 0.00 0.00 179.24 178.56 1aab h LYS 67 N 0.22 0.70 -0.02 0.28 3.64 -0.38 0.42 116.57 121.44 1aab h LYS 67 Ca -0.06 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1aab h LYS 67 Cb 1.47 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1aab h LYS 67 CO 0.14 0.46 -0.07 0.00 -2.27 0.00 0.00 179.45 177.72 1aab h ALA 68 N 1.61 0.04 0.00 5.00 0.00 -1.52 -2.78 119.26 121.62 1aab h ALA 68 Ca 0.54 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1aab h ALA 68 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1aab h ALA 68 CO -0.37 -0.10 0.28 0.00 0.00 0.00 0.00 179.25 179.05 1aab h ARG 69 N -0.51 0.00 0.00 0.00 2.47 -0.92 0.35 114.38 115.76 1aab h ARG 69 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1aab h ARG 69 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1aab h ARG 69 CO 0.01 0.00 0.00 0.98 0.56 0.00 0.00 179.97 181.52 1aab n TYR 70 N -2.46 0.00 0.11 3.04 9.36 0.02 -3.68 117.16 123.56 1aab n TYR 70 Ca -0.01 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.22 1aab n TYR 70 Cb 0.31 -0.44 0.06 0.00 -0.63 0.00 0.00 39.34 38.65 1aab n TYR 70 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1aab n GLU 71 N -1.81 0.03 0.00 2.98 1.02 -0.99 -2.31 120.64 119.56 1aab n GLU 71 Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1aab n GLU 71 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1aab n GLU 71 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1aab n ARG 72 N -1.33 0.00 0.00 3.49 3.00 0.08 -4.04 116.66 117.86 1aab n ARG 72 Ca 0.01 0.25 0.08 0.00 -0.00 0.00 0.00 57.85 58.19 1aab n ARG 72 Cb 0.02 -0.87 0.40 0.00 0.00 0.00 0.00 32.46 32.01 1aab n ARG 72 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1aab n GLU 73 N -1.25 0.17 0.10 -0.14 0.28 -1.22 -2.62 120.64 115.95 1aab n GLU 73 Ca 0.00 0.16 0.11 0.00 -0.16 0.00 0.00 57.16 57.27 1aab n GLU 73 Cb 0.00 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 31.82 1aab n GLU 73 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1aab n MET 74 N -1.35 0.16 0.00 3.44 2.81 -0.98 -2.58 117.12 118.62 1aab n MET 74 Ca 0.07 0.36 0.03 0.00 -1.81 0.00 0.00 57.70 56.34 1aab n MET 74 Cb 0.15 -1.78 0.18 0.00 -0.71 0.00 0.00 33.22 31.06 1aab n MET 74 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1aab n LYS 75 N -2.07 0.59 -0.72 0.03 5.02 -1.08 -3.26 118.16 116.68 1aab n LYS 75 Ca 0.03 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 1aab n LYS 75 Cb 0.24 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.66 0.00 0.00 -0.18 5.66 -1.07 -5.07 114.28 112.96 1aab n THR 76 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1aab n THR 76 Cb 0.02 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 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 -3.00 1.09 9.36 -1.18 -4.98 117.16 118.44 1aab n TYR 77 Ca -0.14 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.07 1aab n TYR 77 Cb 0.53 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.23 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 -5.07 -1.06 2.97 -0.00 -1.26 -4.95 119.36 109.99 1aab n ILE 78 Ca 0.00 0.92 -0.29 0.00 -0.00 0.00 0.00 62.75 63.39 1aab n ILE 78 Cb 0.00 -4.09 0.19 0.00 -0.00 0.00 0.00 39.64 35.74 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 -0.85 0.20 0.00 0.38 0.05 -1.26 -5.03 135.00 128.49 1aab s PRO 79 Ca -0.03 0.57 0.00 0.00 0.05 0.00 0.00 61.00 61.59 1aab s PRO 79 Cb 0.00 -1.71 0.00 0.00 0.05 0.00 0.00 34.50 32.85 1aab s PRO 79 CO 0.25 -2.90 0.00 -0.35 0.05 0.00 0.00 177.00 174.05 1aab n PRO 80 N -4.30 1.02 -1.89 0.56 -0.04 -1.26 -4.70 135.00 124.38 1aab n PRO 80 Ca 0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 1aab n PRO 80 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.95 1aab n PRO 80 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1aab s LYS 81 N 0.00 2.05 -0.33 0.54 2.20 -1.26 -4.62 119.74 118.32 1aab s LYS 81 Ca 0.00 -0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 1aab s LYS 81 Cb 0.00 -5.10 0.19 0.00 -1.51 0.00 0.00 37.83 31.41 1aab s LYS 81 CO 0.00 -4.36 0.99 0.20 -0.36 0.00 0.00 175.35 171.82 1aab s GLY 82 N 7.72 -1.41 0.00 5.54 0.00 -1.26 -4.74 107.32 113.17 1aab s GLY 82 Ca 0.74 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.75 1aab s GLY 82 CO 0.12 4.19 0.34 -2.21 0.00 0.00 0.00 173.10 175.54