#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 2.75 0.00 1.61 5.02 -1.26 -4.87 118.16 121.42 1aab n LYS 2 Ca 0.00 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 1aab n LYS 2 Cb 0.00 -3.02 0.00 0.00 -0.02 0.00 0.00 35.03 31.99 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 4.68 2.71 2.45 0.72 0.00 -1.26 -5.10 105.19 109.38 1aab n GLY 3 Ca 0.21 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -1.25 -3.01 1.61 9.92 -1.26 -5.13 116.55 117.42 1aab n ASP 4 Ca 0.00 -2.91 0.00 0.00 -0.53 0.00 0.00 54.79 51.35 1aab n ASP 4 Cb 0.00 0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1aab n ASP 4 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1aab n PRO 5 N 1.70 -1.01 -0.45 -0.24 -0.05 -1.26 -3.62 135.00 130.07 1aab n PRO 5 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.62 1aab n PRO 5 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.02 1aab n PRO 5 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1aab n LYS 6 N -1.40 -0.28 -1.17 0.54 4.01 -1.26 -4.90 118.16 113.70 1aab n LYS 6 Ca 0.00 0.05 -0.31 0.00 -0.51 0.00 0.00 58.31 57.55 1aab n LYS 6 Cb 0.00 -3.86 0.12 0.00 -0.51 0.00 0.00 35.03 30.77 1aab n LYS 6 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1aab s LYS 7 N -0.90 1.75 0.23 1.97 1.02 -1.24 -4.54 119.74 118.03 1aab s LYS 7 Ca 0.00 1.09 -0.04 0.00 0.02 0.00 0.00 55.97 57.04 1aab s LYS 7 Cb 0.00 -1.84 0.06 0.00 -0.52 0.00 0.00 37.83 35.53 1aab s LYS 7 CO 0.00 -1.98 0.14 -0.35 -0.92 0.00 0.00 175.35 172.24 1aab n PRO 8 N -3.74 -2.45 0.00 -1.68 -0.04 -1.26 -4.74 135.00 121.09 1aab n PRO 8 Ca 0.09 -0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.33 1aab n PRO 8 Cb 0.54 -0.30 0.10 0.00 -0.04 0.00 0.00 33.50 33.79 1aab n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1aab n ARG 9 N -2.60 0.29 -1.28 0.54 0.63 -1.26 -4.74 116.66 108.23 1aab n ARG 9 Ca 0.02 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.86 1aab n ARG 9 Cb 0.10 -1.18 -0.04 0.00 0.45 0.00 0.00 32.46 31.78 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 -0.29 1.11 3.04 5.14 0.00 -1.26 -4.14 105.19 108.78 1aab n GLY 10 Ca 0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.55 -2.14 -2.50 1.61 4.81 -1.26 -4.99 118.16 111.13 1aab n LYS 11 Ca -0.10 1.87 -0.25 0.00 -0.87 0.00 0.00 58.31 58.96 1aab n LYS 11 Cb 0.34 -3.77 0.04 0.00 0.02 0.00 0.00 35.03 31.66 1aab n LYS 11 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1aab s MET 12 N -1.95 2.72 0.43 1.64 -1.94 -1.26 -5.06 119.30 113.88 1aab s MET 12 Ca 0.16 -0.28 0.02 0.00 -1.71 0.00 0.00 55.69 53.87 1aab s MET 12 Cb -0.03 -2.34 0.08 0.00 2.01 0.00 0.00 34.83 34.56 1aab s MET 12 CO 0.63 -0.74 0.59 -1.13 -0.01 0.00 0.00 175.02 174.36 1aab n SER 13 N -2.53 1.02 -0.06 3.03 3.41 -1.26 -4.84 113.62 112.40 1aab n SER 13 Ca 0.05 -1.81 -0.13 0.00 -0.26 0.00 0.00 58.87 56.73 1aab n SER 13 Cb 0.59 -0.36 -0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.23 0.87 -0.02 4.04 4.64 -1.92 -2.28 113.55 118.65 1aab h SER 14 Ca -0.20 -0.45 -0.01 0.00 -0.47 0.00 0.00 61.79 60.66 1aab h SER 14 Cb 0.78 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1aab h SER 14 CO 0.23 1.22 -0.04 0.22 -0.87 0.00 0.00 176.83 177.60 1aab h TYR 15 N 0.61 0.07 -0.48 4.77 3.20 -1.94 -2.82 116.97 120.38 1aab h TYR 15 Ca 0.02 -0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.01 1aab h TYR 15 Cb 1.10 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 1aab h TYR 15 CO 0.06 0.62 0.42 0.00 -1.64 0.00 0.00 178.16 177.62 1aab h ALA 16 N 0.43 2.31 -0.09 1.82 0.00 -1.94 0.49 119.26 122.28 1aab h ALA 16 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1aab h ALA 16 Cb 0.62 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1aab h ALA 16 CO 0.01 -0.67 -0.54 0.74 0.00 0.00 0.00 179.25 178.79 1aab h PHE 17 N 0.00 0.31 0.00 0.00 0.04 -1.16 -1.07 116.94 115.06 1aab h PHE 17 Ca 0.23 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1aab h PHE 17 Cb 1.07 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1aab h PHE 17 CO 0.00 0.73 0.00 0.35 -0.60 0.00 0.00 178.31 178.79 1aab h PHE 18 N 0.19 0.00 0.06 -0.55 3.04 0.08 -2.89 116.94 116.87 1aab h PHE 18 Ca 0.00 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.85 1aab h PHE 18 Cb 1.01 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.53 1aab h PHE 18 CO 0.02 0.00 -0.47 0.28 -2.02 0.00 0.00 178.31 176.12 1aab h VAL 19 N 0.00 1.60 -0.01 1.41 2.07 -0.50 -1.25 116.25 119.57 1aab h VAL 19 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1aab h VAL 19 Cb 0.84 3.23 -0.00 0.00 -1.52 0.00 0.00 31.29 33.83 1aab h VAL 19 CO 0.00 0.64 0.01 0.06 0.02 0.00 0.00 177.57 178.31 1aab h GLN 20 N -0.71 0.00 0.00 1.57 -0.00 -1.26 1.40 115.11 116.11 1aab h GLN 20 Ca -0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.38 1aab h GLN 20 Cb 1.32 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.77 1aab h GLN 20 CO 0.05 0.00 -0.85 1.15 -0.00 0.00 0.00 178.83 179.18 1aab h THR 21 N 0.00 1.53 0.00 1.86 2.02 -1.47 -2.83 112.91 114.03 1aab h THR 21 Ca 0.00 -3.00 0.00 0.00 0.77 0.00 0.00 66.41 64.19 1aab h THR 21 Cb 0.03 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1aab h THR 21 CO -0.00 0.84 -0.68 -0.24 0.37 0.00 0.00 175.52 175.80 1aab n SER 22 N -3.41 0.61 -0.04 4.18 2.88 0.15 -3.92 113.62 114.07 1aab n SER 22 Ca 0.00 -0.30 -0.02 0.00 -1.33 0.00 0.00 58.87 57.23 1aab n SER 22 Cb 0.85 0.44 -0.01 0.00 -0.75 0.00 0.00 64.21 64.74 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 -0.03 -0.05 -1.46 2.43 0.17 -1.83 114.38 113.60 1aab h ARG 23 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1aab h ARG 23 Cb 0.57 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1aab h ARG 23 CO 0.00 0.06 0.19 0.93 -1.51 0.00 0.00 179.97 179.64 1aab h GLU 24 N -1.01 0.00 0.00 0.20 5.08 -1.69 0.56 114.58 117.72 1aab h GLU 24 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1aab h GLU 24 Cb 0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1aab h GLU 24 CO 0.01 0.00 -1.22 0.93 -1.00 0.00 0.00 179.01 177.73 1aab h GLU 25 N 0.00 0.00 0.00 2.33 5.08 -1.68 -3.29 114.58 117.03 1aab h GLU 25 Ca 0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1aab h GLU 25 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1aab h GLU 25 CO -0.00 0.78 -0.69 1.25 -1.00 0.00 0.00 179.01 179.34 1aab h HIS 26 N 0.00 0.00 0.00 4.33 -0.00 0.92 -3.12 115.15 117.28 1aab h HIS 26 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1aab h HIS 26 Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.23 1aab h HIS 26 CO 0.00 0.69 0.08 0.87 -0.00 0.00 0.00 177.93 179.57 1aab h LYS 27 N 0.00 0.00 0.00 5.26 1.57 -1.04 0.27 116.57 122.63 1aab h LYS 27 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1aab h LYS 27 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1aab h LYS 27 CO 0.09 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.60 1aab n LYS 28 N -2.43 0.40 -1.58 3.15 5.02 -1.18 -3.49 118.16 118.05 1aab n LYS 28 Ca -0.02 0.05 -0.04 0.00 -2.02 0.00 0.00 58.31 56.29 1aab n LYS 28 Cb 0.12 -1.50 0.01 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 -1.11 0.49 -2.97 1.97 2.85 0.06 -5.02 118.16 114.42 1aab n LYS 29 Ca 0.10 -0.92 -0.16 0.00 -1.05 0.00 0.00 58.31 56.29 1aab n LYS 29 Cb 0.08 0.44 -0.01 0.00 -0.65 0.00 0.00 35.03 34.90 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 -0.56 -1.81 -0.00 5.58 8.25 -1.05 -4.99 115.22 120.65 1aab n HIS 30 Ca -0.20 -2.69 -0.17 0.00 -0.26 0.00 0.00 57.72 54.40 1aab n HIS 30 Cb 0.71 0.60 -0.12 0.00 1.12 0.00 0.00 29.99 32.30 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 3.91 0.26 0.00 -0.41 0.13 -1.89 -3.33 132.00 130.67 1aab h PRO 31 Ca -0.04 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1aab h PRO 31 Cb 0.96 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1aab h PRO 31 CO 0.39 1.06 -0.12 -0.44 -0.23 0.00 0.00 178.00 178.66 1aab h ASP 32 N -0.40 0.00 -0.89 1.44 3.32 -1.99 -3.30 116.42 114.59 1aab h ASP 32 Ca -0.07 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1aab h ASP 32 Cb 1.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 1aab h ASP 32 CO 0.09 0.01 0.57 0.00 -1.72 0.00 0.00 179.24 178.20 1aab h ALA 33 N 2.34 1.33 0.00 3.45 0.00 -1.96 -3.44 119.26 120.97 1aab h ALA 33 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1aab h ALA 33 Cb 0.83 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1aab h ALA 33 CO 0.00 0.61 0.00 0.43 0.00 0.00 0.00 179.25 180.29 1aab n SER 34 N -4.38 -1.36 -3.05 0.00 7.64 -1.25 -3.88 113.62 107.34 1aab n SER 34 Ca 0.10 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.92 1aab n SER 34 Cb 0.03 -2.47 0.01 0.00 -1.01 0.00 0.00 64.21 60.77 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 -1.70 -6.37 1.27 0.44 0.31 -1.26 -4.79 118.33 106.23 1aab n VAL 35 Ca 0.00 0.92 0.08 0.00 -0.01 0.00 0.00 64.34 65.33 1aab n VAL 35 Cb 0.11 -4.75 0.50 0.00 -0.91 0.00 0.00 33.84 28.79 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 0.75 0.00 -0.60 4.52 3.02 -1.25 -4.78 115.26 116.92 1aab n ASN 36 Ca -0.00 -0.74 -0.06 0.00 -0.03 0.00 0.00 54.58 53.75 1aab n ASN 36 Cb 0.36 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.91 -0.17 -1.53 3.10 3.72 -1.26 -4.52 117.46 115.89 1aab n PHE 37 Ca 0.13 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.54 1aab n PHE 37 Cb 0.06 -1.91 0.02 0.00 -0.94 0.00 0.00 39.48 36.71 1aab n PHE 37 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1aab n SER 38 N 0.10 0.39 0.00 4.37 7.64 -1.26 -4.65 113.62 120.21 1aab n SER 38 Ca -0.06 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1aab n SER 38 Cb 0.36 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1aab n SER 38 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1aab n GLU 39 N -0.20 0.57 -0.07 1.43 2.13 -1.26 -4.92 120.64 118.32 1aab n GLU 39 Ca 0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.75 1aab n GLU 39 Cb 0.62 -0.09 -0.05 0.00 0.27 0.00 0.00 31.44 32.19 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 -0.50 4.31 3.57 -1.90 -3.35 116.94 119.06 1aab h PHE 40 Ca 0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1aab h PHE 40 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1aab h PHE 40 CO 0.00 0.46 0.47 1.03 -2.23 0.00 0.00 178.31 178.04 1aab h SER 41 N -1.00 0.00 -0.11 0.41 0.87 -1.93 0.88 113.55 112.67 1aab h SER 41 Ca -0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1aab h SER 41 Cb 0.64 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1aab h SER 41 CO -0.05 0.00 0.04 0.11 -0.53 0.00 0.00 176.83 176.40 1aab h LYS 42 N 0.00 0.21 0.10 2.24 6.56 -1.91 0.31 116.57 124.08 1aab h LYS 42 Ca 0.24 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1aab h LYS 42 Cb 1.17 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1aab h LYS 42 CO -0.00 0.19 -0.05 -0.22 -2.06 0.00 0.00 179.45 177.31 1aab h LYS 43 N 0.21 -0.13 -0.17 3.15 3.64 0.63 -2.74 116.57 121.16 1aab h LYS 43 Ca 0.05 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1aab h LYS 43 Cb 0.08 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1aab h LYS 43 CO -0.00 0.35 0.07 0.00 -2.27 0.00 0.00 179.45 177.59 1aab h SER 45 N 0.23 1.04 0.66 0.00 0.87 -0.44 0.16 113.55 116.07 1aab h SER 45 Ca 0.06 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1aab h SER 45 Cb 0.04 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1aab h SER 45 CO -0.01 0.95 0.00 1.21 -0.53 0.00 0.00 176.83 178.45 1aab n GLU 46 N -4.30 0.19 -0.00 2.24 2.13 -0.34 -1.49 120.64 119.06 1aab n GLU 46 Ca 0.06 0.45 0.09 0.00 0.66 0.00 0.00 57.16 58.42 1aab n GLU 46 Cb 0.20 -1.89 -0.11 0.00 0.27 0.00 0.00 31.44 29.91 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 -2.26 0.59 -0.07 5.31 0.63 -0.06 -4.42 116.66 116.38 1aab n ARG 47 Ca 0.02 -0.01 -0.08 0.00 -0.92 0.00 0.00 57.85 56.86 1aab n ARG 47 Cb 0.21 -1.42 -0.03 0.00 0.45 0.00 0.00 32.46 31.68 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 -1.48 0.00 0.29 -0.14 -0.00 0.37 -4.28 117.44 112.20 1aab n TRP 48 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.61 1aab n TRP 48 Cb 0.31 -0.43 0.38 0.00 -0.00 0.00 0.00 31.31 31.58 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 -0.85 0.00 0.15 5.87 1.57 -1.52 0.26 116.57 122.04 1aab h LYS 49 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1aab h LYS 49 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1aab h LYS 49 CO 0.00 0.00 -1.54 0.00 -0.57 0.00 0.00 179.45 177.34 1aab h THR 50 N 0.00 1.16 -2.76 -0.16 1.03 -1.78 -3.47 112.91 106.93 1aab h THR 50 Ca 0.00 -2.76 -0.39 0.00 -0.01 0.00 0.00 66.41 63.26 1aab h THR 50 Cb 1.18 2.81 0.21 0.00 -1.07 0.00 0.00 68.15 71.28 1aab h THR 50 CO 0.00 0.83 -0.29 0.23 -0.01 0.00 0.00 175.52 176.28 1aab n MET 51 N -3.51 -3.20 -3.36 0.00 2.81 0.90 -5.00 117.12 105.75 1aab n MET 51 Ca -0.17 -0.93 -0.24 0.00 -1.81 0.00 0.00 57.70 54.54 1aab n MET 51 Cb 1.05 -1.91 -0.01 0.00 -0.71 0.00 0.00 33.22 31.64 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 -2.47 6.31 0.49 7.83 0.15 -1.26 -4.92 113.70 119.83 1aab s SER 52 Ca 0.62 0.48 0.28 0.00 0.70 0.00 0.00 55.95 58.03 1aab s SER 52 Cb -0.16 -2.05 1.54 0.00 -1.71 0.00 0.00 66.02 63.64 1aab s SER 52 CO 0.59 -0.29 1.85 0.00 1.20 0.00 0.00 173.24 176.58 1aab h ALA 53 N 0.83 1.10 0.40 5.45 0.00 -1.94 -1.29 119.26 123.82 1aab h ALA 53 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 53 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1aab h ALA 53 CO 0.62 -0.10 -0.19 0.87 0.00 0.00 0.00 179.25 180.44 1aab h LYS 54 N 0.00 -0.52 -0.10 0.00 1.57 -1.97 0.64 116.57 116.19 1aab h LYS 54 Ca 0.00 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1aab h LYS 54 Cb 0.25 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1aab h LYS 54 CO 0.00 -0.28 -0.12 0.93 -0.57 0.00 0.00 179.45 179.42 1aab h GLU 55 N -0.66 0.25 0.00 3.15 4.39 -1.66 -1.45 114.58 118.60 1aab h GLU 55 Ca -0.05 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1aab h GLU 55 Cb 0.48 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1aab h GLU 55 CO 0.09 0.69 0.00 1.63 -1.16 0.00 0.00 179.01 180.26 1aab n LYS 56 N -4.63 0.16 -0.02 2.33 5.02 -0.69 -2.45 118.16 117.88 1aab n LYS 56 Ca -0.07 0.14 -0.04 0.00 -2.02 0.00 0.00 58.31 56.32 1aab n LYS 56 Cb 0.34 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.29 -0.07 2.00 0.72 0.00 0.14 -2.04 103.07 105.11 1aab h GLY 57 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1aab h GLY 57 CO 0.00 -0.03 0.00 0.58 0.00 0.00 0.00 176.54 177.09 1aab n LYS 58 N -4.79 0.07 0.04 4.80 -0.00 -1.03 -0.23 118.16 117.02 1aab n LYS 58 Ca -0.03 0.45 -0.02 0.00 -0.00 0.00 0.00 58.31 58.71 1aab n LYS 58 Cb 0.14 -1.67 -0.08 0.00 -0.00 0.00 0.00 35.03 33.42 1aab n LYS 58 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1aab h PHE 59 N 0.00 0.00 0.00 5.58 0.04 -1.56 -2.57 116.94 118.43 1aab h PHE 59 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1aab h PHE 59 Cb 0.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1aab h PHE 59 CO 0.00 0.71 -0.24 0.93 -0.60 0.00 0.00 178.31 179.11 1aab h GLU 60 N 0.00 0.00 0.22 1.51 4.39 0.16 -2.20 114.58 118.66 1aab h GLU 60 Ca -0.14 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.22 1aab h GLU 60 Cb 1.66 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 30.34 1aab h GLU 60 CO 0.07 0.24 -1.61 0.22 -1.16 0.00 0.00 179.01 176.77 1aab h ASP 61 N 0.00 0.74 -0.43 1.42 3.58 -1.29 -2.78 116.42 117.66 1aab h ASP 61 Ca -0.00 -0.92 -0.05 0.00 0.42 0.00 0.00 57.03 56.48 1aab h ASP 61 Cb 0.96 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 1aab h ASP 61 CO 0.03 1.75 0.08 0.24 -2.88 0.00 0.00 179.24 178.45 1aab h MET 62 N 0.13 0.71 -0.28 0.28 2.86 -1.37 0.53 114.93 117.79 1aab h MET 62 Ca -0.30 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.13 1aab h MET 62 Cb 2.14 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.70 1aab h MET 62 CO 0.23 0.74 0.08 0.00 1.06 0.00 0.00 176.91 179.02 1aab h ALA 63 N 0.94 1.63 -0.03 6.32 0.00 -1.50 0.13 119.26 126.76 1aab h ALA 63 Ca 0.13 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1aab h ALA 63 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1aab h ALA 63 CO 0.01 0.29 -0.55 -0.22 0.00 0.00 0.00 179.25 178.77 1aab h LYS 64 N 0.39 0.08 -0.02 0.00 3.64 -1.06 -0.66 116.57 118.95 1aab h LYS 64 Ca 0.10 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.24 1aab h LYS 64 Cb 0.13 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1aab h LYS 64 CO -0.01 0.61 -0.80 0.00 -2.27 0.00 0.00 179.45 176.99 1aab h ALA 65 N 1.37 0.59 -0.06 5.00 0.00 0.75 -3.01 119.26 123.90 1aab h ALA 65 Ca -0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 54.91 54.08 1aab h ALA 65 Cb 1.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1aab h ALA 65 CO 0.08 0.84 -0.66 0.22 0.00 0.00 0.00 179.25 179.73 1aab h ASP 66 N 0.16 0.31 -0.85 0.00 1.82 -0.52 -2.83 116.42 114.51 1aab h ASP 66 Ca -0.04 -0.19 0.08 0.00 -0.39 0.00 0.00 57.03 56.50 1aab h ASP 66 Cb 1.39 -0.09 -0.06 0.00 0.68 0.00 0.00 39.33 41.26 1aab h ASP 66 CO 0.13 0.88 0.55 0.50 -1.61 0.00 0.00 179.24 179.69 1aab h LYS 67 N 0.19 0.84 -0.01 0.28 3.64 -0.99 0.25 116.57 120.77 1aab h LYS 67 Ca -0.01 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 1aab h LYS 67 Cb 1.19 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 1aab h LYS 67 CO 0.10 0.55 -0.70 0.00 -2.27 0.00 0.00 179.45 177.14 1aab h ALA 68 N 1.56 0.83 0.00 5.00 0.00 -1.48 -2.26 119.26 122.91 1aab h ALA 68 Ca 0.38 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1aab h ALA 68 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1aab h ALA 68 CO -0.15 0.86 -0.49 0.00 0.00 0.00 0.00 179.25 179.47 1aab h ARG 69 N 0.02 0.00 0.16 0.00 2.47 -0.83 -1.94 114.38 114.26 1aab h ARG 69 Ca -0.01 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.47 1aab h ARG 69 Cb 1.24 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.58 1aab h ARG 69 CO 0.09 0.49 -1.09 -0.92 0.56 0.00 0.00 179.97 179.11 1aab h TYR 70 N 0.00 0.60 0.20 3.04 5.03 -0.93 -3.26 116.97 121.65 1aab h TYR 70 Ca -0.00 -0.44 -0.01 0.00 2.58 0.00 0.00 58.73 60.86 1aab h TYR 70 Cb 0.98 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.23 1aab h TYR 70 CO 0.00 1.42 -0.10 0.93 -1.32 0.00 0.00 178.16 179.09 1aab h GLU 71 N -0.26 -0.26 -0.79 1.82 4.39 -1.44 -2.51 114.58 115.53 1aab h GLU 71 Ca -0.20 0.02 0.23 0.00 0.34 0.00 0.00 59.36 59.74 1aab h GLU 71 Cb 1.77 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 30.45 1aab h GLU 71 CO 0.15 0.08 0.62 -0.09 -1.16 0.00 0.00 179.01 178.61 1aab h ARG 72 N -0.96 0.00 0.14 2.33 2.43 -1.55 -0.04 114.38 116.73 1aab h ARG 72 Ca -0.03 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.84 1aab h ARG 72 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1aab h ARG 72 CO 0.05 0.00 -1.47 0.93 -1.51 0.00 0.00 179.97 177.96 1aab h GLU 73 N 0.00 0.29 0.00 0.20 5.08 -1.60 -3.25 114.58 115.30 1aab h GLU 73 Ca 0.38 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1aab h GLU 73 Cb 1.62 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1aab h GLU 73 CO -0.00 1.19 0.04 -1.33 -1.00 0.00 0.00 179.01 177.90 1aab n MET 74 N -3.51 0.00 0.29 2.33 2.81 -0.03 -0.35 117.12 118.66 1aab n MET 74 Ca -0.15 0.25 0.18 0.00 -1.81 0.00 0.00 57.70 56.18 1aab n MET 74 Cb 1.05 -1.54 0.94 0.00 -0.71 0.00 0.00 33.22 32.96 1aab n MET 74 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1aab h LYS 75 N 0.00 0.00 0.00 0.03 1.63 -1.59 -3.29 116.57 113.35 1aab h LYS 75 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1aab h LYS 75 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1aab h LYS 75 CO 0.00 0.00 0.00 -2.37 -3.45 0.00 0.00 179.45 173.63 1aab n THR 76 N -3.28 0.00 -2.96 1.00 5.66 -0.69 -5.08 114.28 108.93 1aab n THR 76 Ca -0.01 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.93 1aab n THR 76 Cb 0.28 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.07 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 -2.74 -3.45 1.09 9.36 0.53 -4.96 117.16 116.99 1aab n TYR 77 Ca 0.00 1.18 -0.40 0.00 3.32 0.00 0.00 57.90 62.00 1aab n TYR 77 Cb 0.26 -3.00 -0.10 0.00 -0.63 0.00 0.00 39.34 35.87 1aab n TYR 77 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1aab s ILE 78 N -1.64 5.21 1.36 2.97 1.09 -1.26 -5.04 121.20 123.89 1aab s ILE 78 Ca 0.09 0.13 -0.21 0.00 -1.10 0.00 0.00 60.65 59.56 1aab s ILE 78 Cb -0.02 -3.74 0.33 0.00 -1.06 0.00 0.00 42.46 37.98 1aab s ILE 78 CO 0.59 0.02 0.78 -2.65 -0.10 0.00 0.00 174.94 173.58 1aab n PRO 79 N 5.28 -4.08 0.00 2.79 -0.02 -1.26 -4.97 135.00 132.74 1aab n PRO 79 Ca -0.10 -1.21 0.00 0.00 -2.02 0.00 0.00 63.50 60.17 1aab n PRO 79 Cb 0.50 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1aab n PRO 79 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1aab n PRO 80 N -4.93 -0.08 -2.96 0.52 -0.02 -1.26 -5.02 135.00 121.25 1aab n PRO 80 Ca 0.10 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.45 1aab n PRO 80 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 34.05 1aab n PRO 80 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1aab n LYS 81 N -0.73 1.02 -2.83 -0.52 5.02 -1.26 -4.98 118.16 113.89 1aab n LYS 81 Ca 0.00 -2.88 -0.11 0.00 -2.02 0.00 0.00 58.31 53.30 1aab n LYS 81 Cb 0.00 -1.36 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.19 0.58 0.00 0.72 0.00 -1.26 -5.37 105.19 100.05 1aab n GLY 82 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11