#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 0.03 0.00 1.61 5.02 -1.26 -4.92 118.16 118.64 1aab n LYS 2 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1aab n LYS 2 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 -1.01 -1.11 3.87 0.72 0.00 -1.26 -4.96 105.19 101.45 1aab n GLY 3 Ca 0.01 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.53 -3.10 0.00 1.61 9.92 -1.26 -4.93 116.55 118.25 1aab n ASP 4 Ca 0.00 -1.08 0.00 0.00 -0.53 0.00 0.00 54.79 53.18 1aab n ASP 4 Cb 0.00 -2.88 0.00 0.00 -0.64 0.00 0.00 41.12 37.60 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 -4.43 0.00 -2.60 -0.24 -0.04 -1.26 -4.59 135.00 121.84 1aab n PRO 5 Ca -0.18 0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1aab n PRO 5 Cb 0.62 -1.11 0.02 0.00 -0.04 0.00 0.00 33.50 33.00 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 -1.22 1.87 -1.63 0.54 5.02 -1.26 -5.09 118.16 116.38 1aab n LYS 6 Ca 0.00 -3.65 -0.52 0.00 -2.02 0.00 0.00 58.31 52.12 1aab n LYS 6 Cb 0.00 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.39 1aab n LYS 6 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1aab n LYS 7 N -0.20 1.54 -1.68 1.97 3.00 -1.26 -4.84 118.16 116.69 1aab n LYS 7 Ca 0.18 0.54 -0.45 0.00 -0.00 0.00 0.00 58.31 58.58 1aab n LYS 7 Cb 0.77 -2.42 -0.04 0.00 0.00 0.00 0.00 35.03 33.34 1aab n LYS 7 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1aab n PRO 8 N 6.65 2.49 -1.65 1.64 -0.02 -1.26 -4.84 135.00 138.00 1aab n PRO 8 Ca 0.29 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 62.26 1aab n PRO 8 Cb 0.22 -2.78 -0.01 0.00 -0.02 0.00 0.00 33.50 30.92 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 5.94 2.97 0.00 -0.52 0.63 -1.26 -4.68 116.66 119.74 1aab n ARG 9 Ca 0.20 -2.52 0.00 0.00 -0.92 0.00 0.00 57.85 54.60 1aab n ARG 9 Cb 0.34 -3.20 0.00 0.00 0.45 0.00 0.00 32.46 30.04 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 4.02 1.35 3.55 5.14 0.00 -1.26 -4.75 105.19 113.24 1aab n GLY 10 Ca 0.56 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.56 1.17 -2.84 1.61 2.85 -1.25 -4.86 118.16 114.28 1aab n LYS 11 Ca 0.00 0.11 -0.33 0.00 -1.05 0.00 0.00 58.31 57.04 1aab n LYS 11 Cb 0.00 -3.28 -0.07 0.00 -0.65 0.00 0.00 35.03 31.03 1aab n LYS 11 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1aab s MET 12 N 7.88 4.25 0.28 -1.58 1.75 -1.26 -4.97 119.30 125.64 1aab s MET 12 Ca 1.01 1.11 -0.29 0.00 -1.25 0.00 0.00 55.69 56.27 1aab s MET 12 Cb -0.28 -2.25 -0.14 0.00 2.84 0.00 0.00 34.83 34.99 1aab s MET 12 CO 0.30 0.01 1.19 0.43 -0.65 0.00 0.00 175.02 176.30 1aab n SER 13 N -0.51 1.99 0.24 1.11 7.64 -1.26 -4.63 113.62 118.20 1aab n SER 13 Ca 0.06 1.17 0.18 0.00 1.01 0.00 0.00 58.87 61.30 1aab n SER 13 Cb 0.54 -1.36 0.84 0.00 -1.01 0.00 0.00 64.21 63.22 1aab n SER 13 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1aab h SER 14 N 2.77 0.00 0.03 6.43 4.64 -1.94 0.33 113.55 125.82 1aab h SER 14 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1aab h SER 14 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1aab h SER 14 CO 0.65 0.00 -0.02 0.22 -0.87 0.00 0.00 176.83 176.82 1aab h TYR 15 N 0.00 -0.04 -0.52 4.77 3.20 -1.90 -3.00 116.97 119.48 1aab h TYR 15 Ca 0.07 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.09 1aab h TYR 15 Cb 0.68 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1aab h TYR 15 CO 0.00 0.60 0.41 0.00 -1.64 0.00 0.00 178.16 177.53 1aab h ALA 16 N -0.21 2.42 -0.35 1.82 0.00 -1.37 0.48 119.26 122.05 1aab h ALA 16 Ca -0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1aab h ALA 16 Cb 0.67 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1aab h ALA 16 CO 0.01 -0.68 -0.19 0.74 0.00 0.00 0.00 179.25 179.13 1aab h PHE 17 N 0.00 0.72 0.00 0.00 0.04 -0.99 -1.44 116.94 115.28 1aab h PHE 17 Ca 0.25 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1aab h PHE 17 Cb 1.06 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.03 1aab h PHE 17 CO 0.00 0.79 0.00 0.35 -0.60 0.00 0.00 178.31 178.85 1aab h PHE 18 N 0.58 0.00 0.09 -0.55 3.04 0.05 -2.96 116.94 117.18 1aab h PHE 18 Ca 0.09 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.91 1aab h PHE 18 Cb 0.65 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.17 1aab h PHE 18 CO 0.03 0.00 -0.58 0.28 -2.02 0.00 0.00 178.31 176.02 1aab h VAL 19 N 0.00 1.57 0.00 1.41 2.07 -0.23 0.38 116.25 121.45 1aab h VAL 19 Ca 0.00 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1aab h VAL 19 Cb 0.74 3.21 -0.00 0.00 -1.52 0.00 0.00 31.29 33.72 1aab h VAL 19 CO 0.00 0.67 -0.03 0.06 0.02 0.00 0.00 177.57 178.29 1aab h GLN 20 N -0.61 0.00 0.04 1.57 3.07 -1.33 0.87 115.11 118.73 1aab h GLN 20 Ca -0.11 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.39 1aab h GLN 20 Cb 1.42 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.96 1aab h GLN 20 CO 0.08 0.03 -1.16 1.15 0.09 0.00 0.00 178.83 179.03 1aab h THR 21 N 0.00 1.55 0.00 1.86 2.02 -1.46 -3.11 112.91 113.78 1aab h THR 21 Ca -0.00 -3.24 -0.05 0.00 0.77 0.00 0.00 66.41 63.89 1aab h THR 21 Cb 0.10 2.83 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 1aab h THR 21 CO 0.00 0.91 -0.40 -1.28 0.37 0.00 0.00 175.52 175.12 1aab h SER 22 N 0.02 0.00 0.66 4.18 0.87 0.16 -3.26 113.55 116.19 1aab h SER 22 Ca -0.08 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1aab h SER 22 Cb 1.86 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.82 1aab h SER 22 CO 0.15 0.21 -0.32 -0.09 -0.53 0.00 0.00 176.83 176.25 1aab h ARG 23 N 0.00 -0.86 -0.53 2.24 2.43 0.61 0.20 114.38 118.46 1aab h ARG 23 Ca -0.01 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.37 1aab h ARG 23 Cb 1.17 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 1aab h ARG 23 CO 0.03 -0.57 0.38 0.93 -1.51 0.00 0.00 179.97 179.23 1aab h GLU 24 N -1.24 0.00 0.00 0.20 5.08 -1.68 0.39 114.58 117.34 1aab h GLU 24 Ca -0.09 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1aab h GLU 24 Cb 0.69 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1aab h GLU 24 CO 0.15 0.00 -0.66 0.93 -1.00 0.00 0.00 179.01 178.44 1aab h GLU 25 N 0.00 0.00 0.00 2.33 5.08 -1.56 -3.24 114.58 117.20 1aab h GLU 25 Ca 0.25 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 1aab h GLU 25 Cb 1.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1aab h GLU 25 CO -0.00 0.66 -0.98 1.25 -1.00 0.00 0.00 179.01 178.93 1aab h HIS 26 N 0.00 0.00 0.00 4.33 -0.00 0.29 -3.23 115.15 116.54 1aab h HIS 26 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1aab h HIS 26 Cb 1.49 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.90 1aab h HIS 26 CO 0.00 0.81 -0.01 -0.22 -0.00 0.00 0.00 177.93 178.51 1aab h LYS 27 N 0.00 0.00 0.00 5.26 3.64 -0.78 0.02 116.57 124.71 1aab h LYS 27 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1aab h LYS 27 Cb 1.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1aab h LYS 27 CO 0.10 0.01 0.00 1.63 -2.27 0.00 0.00 179.45 178.92 1aab n LYS 28 N -3.87 1.00 -0.67 1.90 5.02 -1.22 -3.74 118.16 116.58 1aab n LYS 28 Ca -0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.24 1aab n LYS 28 Cb 0.10 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1aab n LYS 28 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1aab n LYS 29 N -0.69 0.00 -2.91 1.97 4.81 -0.12 -5.00 118.16 116.23 1aab n LYS 29 Ca 0.09 -0.42 -0.13 0.00 -0.87 0.00 0.00 58.31 56.97 1aab n LYS 29 Cb 0.04 0.08 0.03 0.00 0.02 0.00 0.00 35.03 35.20 1aab n LYS 29 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1aab n HIS 30 N 0.02 -1.95 0.23 5.64 8.25 -0.55 -4.96 115.22 121.89 1aab n HIS 30 Ca -0.07 -2.62 0.11 0.00 -0.26 0.00 0.00 57.72 54.89 1aab n HIS 30 Cb 0.59 0.85 0.46 0.00 1.12 0.00 0.00 29.99 33.01 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 3.47 0.00 0.05 -0.41 0.13 -1.85 -3.18 132.00 130.21 1aab h PRO 31 Ca -0.04 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.81 1aab h PRO 31 Cb 1.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1aab h PRO 31 CO 0.32 0.17 -1.41 -0.44 -0.23 0.00 0.00 178.00 176.41 1aab h ASP 32 N 0.00 0.18 -0.50 1.44 5.19 -1.97 -3.34 116.42 117.42 1aab h ASP 32 Ca -0.00 -0.25 -0.10 0.00 -0.62 0.00 0.00 57.03 56.05 1aab h ASP 32 Cb 0.75 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 1aab h ASP 32 CO 0.02 1.21 -0.08 0.00 -3.12 0.00 0.00 179.24 177.27 1aab h ALA 33 N 0.76 0.68 0.00 3.45 0.00 -1.96 -3.45 119.26 118.75 1aab h ALA 33 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 33 Cb 1.94 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1aab h ALA 33 CO 0.13 0.57 0.00 0.43 0.00 0.00 0.00 179.25 180.38 1aab n SER 34 N -4.23 0.00 -3.12 0.00 7.64 -1.22 -4.03 113.62 108.66 1aab n SER 34 Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1aab n SER 34 Cb 0.38 -2.37 0.01 0.00 -1.01 0.00 0.00 64.21 61.21 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 -5.82 0.52 0.44 0.31 -1.26 -4.84 118.33 105.68 1aab n VAL 35 Ca 0.00 0.75 0.03 0.00 -0.01 0.00 0.00 64.34 65.11 1aab n VAL 35 Cb 0.00 -4.54 0.14 0.00 -0.91 0.00 0.00 33.84 28.53 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 0.62 2.40 -3.99 4.52 3.02 -1.26 -4.86 115.26 115.71 1aab n ASN 36 Ca -0.01 -2.25 -0.29 0.00 -0.03 0.00 0.00 54.58 52.00 1aab n ASN 36 Cb 0.43 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.24 -1.90 -1.92 3.10 3.72 -1.26 -4.69 117.46 114.76 1aab n PHE 37 Ca 0.10 0.82 0.00 0.00 -0.05 0.00 0.00 57.45 58.32 1aab n PHE 37 Cb 0.50 -3.67 0.00 0.00 -0.94 0.00 0.00 39.48 35.37 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 -2.86 0.00 0.00 4.37 2.88 -1.26 -4.89 113.62 111.86 1aab n SER 38 Ca -0.10 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.47 1aab n SER 38 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.00 1.69 -0.07 -1.46 1.02 -1.26 -4.87 120.64 115.68 1aab n GLU 39 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1aab n GLU 39 Cb 0.24 -0.14 -0.02 0.00 -0.02 0.00 0.00 31.44 31.50 1aab n GLU 39 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1aab n PHE 40 N 0.00 0.88 -0.22 -0.32 7.35 -1.26 -4.02 117.46 119.87 1aab n PHE 40 Ca 0.00 0.38 0.24 0.00 -0.76 0.00 0.00 57.45 57.31 1aab n PHE 40 Cb 0.00 -0.76 0.61 0.00 0.35 0.00 0.00 39.48 39.68 1aab n PHE 40 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1aab h SER 41 N -1.00 0.21 -0.31 -2.13 0.87 -1.92 0.96 113.55 110.24 1aab h SER 41 Ca -0.01 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1aab h SER 41 Cb 0.55 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1aab h SER 41 CO -0.00 0.08 0.20 0.50 -0.53 0.00 0.00 176.83 177.07 1aab h LYS 42 N 0.21 0.42 0.03 2.24 3.64 -1.90 0.10 116.57 121.31 1aab h LYS 42 Ca 0.46 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1aab h LYS 42 Cb 1.45 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1aab h LYS 42 CO -0.11 0.29 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.13 1aab h LYS 43 N 0.43 -0.04 -0.67 1.90 1.63 0.74 -3.13 116.57 117.44 1aab h LYS 43 Ca 0.11 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.01 1aab h LYS 43 Cb -0.03 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 1aab h LYS 43 CO -0.02 0.63 0.44 0.00 -3.45 0.00 0.00 179.45 177.05 1aab h SER 45 N 0.54 -0.22 0.22 0.00 0.87 -0.87 0.44 113.55 114.53 1aab h SER 45 Ca 0.30 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1aab h SER 45 Cb 0.47 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1aab h SER 45 CO -0.10 -0.12 0.00 -0.62 -0.53 0.00 0.00 176.83 175.46 1aab n GLU 46 N -5.20 0.12 0.00 2.24 1.02 -0.51 -1.14 120.64 117.17 1aab n GLU 46 Ca -0.06 0.21 0.07 0.00 -0.02 0.00 0.00 57.16 57.36 1aab n GLU 46 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1aab n ARG 47 N -1.32 2.25 -0.03 3.49 0.63 0.63 -4.46 116.66 117.84 1aab n ARG 47 Ca 0.04 -0.18 -0.05 0.00 -0.92 0.00 0.00 57.85 56.75 1aab n ARG 47 Cb 0.09 -1.18 -0.02 0.00 0.45 0.00 0.00 32.46 31.80 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 -1.05 0.00 0.21 -0.14 -0.00 0.12 -4.34 117.44 112.24 1aab n TRP 48 Ca 0.03 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.60 1aab n TRP 48 Cb 0.24 -0.27 0.35 0.00 -0.00 0.00 0.00 31.31 31.62 1aab n TRP 48 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1aab h LYS 49 N -0.55 0.00 0.08 5.87 3.64 -1.43 0.35 116.57 124.53 1aab h LYS 49 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1aab h LYS 49 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1aab h LYS 49 CO 0.00 0.00 -1.58 0.00 -2.27 0.00 0.00 179.45 175.60 1aab h THR 50 N 0.00 1.07 -2.63 1.00 1.03 -1.78 -3.47 112.91 108.12 1aab h THR 50 Ca 0.00 -2.78 -0.36 0.00 -0.01 0.00 0.00 66.41 63.26 1aab h THR 50 Cb 0.91 2.65 0.20 0.00 -1.07 0.00 0.00 68.15 70.84 1aab h THR 50 CO 0.00 0.76 -0.31 0.23 -0.01 0.00 0.00 175.52 176.19 1aab n MET 51 N -3.34 -3.29 -3.40 0.00 2.81 0.12 -5.00 117.12 105.03 1aab n MET 51 Ca -0.17 -0.96 -0.24 0.00 -1.81 0.00 0.00 57.70 54.52 1aab n MET 51 Cb 1.03 -1.83 -0.01 0.00 -0.71 0.00 0.00 33.22 31.70 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 -2.47 6.30 0.60 7.83 0.01 -1.26 -4.92 113.70 119.79 1aab s SER 52 Ca 0.58 0.44 0.31 0.00 1.31 0.00 0.00 55.95 58.60 1aab s SER 52 Cb -0.14 -2.03 1.82 0.00 0.21 0.00 0.00 66.02 65.89 1aab s SER 52 CO 0.54 -0.29 2.18 0.00 0.41 0.00 0.00 173.24 176.09 1aab h ALA 53 N 0.77 1.58 0.53 1.44 0.00 -1.94 -0.82 119.26 120.81 1aab h ALA 53 Ca -0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1aab h ALA 53 Cb 1.22 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1aab h ALA 53 CO 0.61 -0.15 -0.25 0.87 0.00 0.00 0.00 179.25 180.33 1aab h LYS 54 N 0.00 -0.69 -0.03 0.00 1.57 -1.97 0.87 116.57 116.32 1aab h LYS 54 Ca 0.04 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1aab h LYS 54 Cb 0.26 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1aab h LYS 54 CO -0.00 -0.46 0.00 0.93 -0.57 0.00 0.00 179.45 179.36 1aab h GLU 55 N -0.72 0.05 0.00 3.15 5.08 -1.72 0.82 114.58 121.25 1aab h GLU 55 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1aab h GLU 55 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1aab h GLU 55 CO 0.12 0.31 0.00 1.63 -1.00 0.00 0.00 179.01 180.07 1aab n LYS 56 N -4.93 0.30 -0.03 2.33 5.02 -0.40 -2.66 118.16 117.79 1aab n LYS 56 Ca -0.07 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.16 1aab n LYS 56 Cb 0.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.49 -0.06 2.00 0.72 0.00 0.33 -2.06 103.07 105.48 1aab h GLY 57 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1aab h GLY 57 CO 0.00 -0.02 0.00 0.58 0.00 0.00 0.00 176.54 177.10 1aab n LYS 58 N -4.77 0.01 0.02 4.80 0.00 -1.09 -0.65 118.16 116.49 1aab n LYS 58 Ca -0.04 0.34 -0.07 0.00 -0.00 0.00 0.00 58.31 58.53 1aab n LYS 58 Cb 0.19 -1.53 -0.13 0.00 -0.00 0.00 0.00 35.03 33.57 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 -1.58 -2.86 116.94 118.11 1aab h PHE 59 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1aab h PHE 59 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1aab h PHE 59 CO 0.00 0.97 -0.27 0.93 -0.60 0.00 0.00 178.31 179.34 1aab h GLU 60 N 0.00 0.00 0.04 1.51 4.39 -0.13 -2.36 114.58 118.03 1aab h GLU 60 Ca -0.17 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.29 1aab h GLU 60 Cb 1.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 1aab h GLU 60 CO 0.10 0.27 -1.03 0.22 -1.16 0.00 0.00 179.01 177.40 1aab h ASP 61 N 0.00 0.46 -0.01 1.42 3.58 -1.30 -2.68 116.42 117.89 1aab h ASP 61 Ca -0.00 -0.41 -0.00 0.00 0.42 0.00 0.00 57.03 57.04 1aab h ASP 61 Cb 0.84 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 1aab h ASP 61 CO 0.03 1.24 0.00 0.24 -2.88 0.00 0.00 179.24 177.88 1aab h MET 62 N 0.16 0.01 -0.14 0.28 2.86 -1.23 -0.69 114.93 116.18 1aab h MET 62 Ca -0.09 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1aab h MET 62 Cb 1.70 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.35 1aab h MET 62 CO 0.17 0.27 0.16 0.00 1.06 0.00 0.00 176.91 178.58 1aab h ALA 63 N 0.74 1.74 0.00 6.32 0.00 -1.48 0.42 119.26 127.00 1aab h ALA 63 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1aab h ALA 63 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1aab h ALA 63 CO 0.00 -0.24 -0.73 -0.22 0.00 0.00 0.00 179.25 178.06 1aab h LYS 64 N 0.00 0.00 -0.15 0.00 3.64 -0.90 -2.44 116.57 116.72 1aab h LYS 64 Ca 0.07 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1aab h LYS 64 Cb 0.39 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1aab h LYS 64 CO -0.00 0.73 -0.10 0.00 -2.27 0.00 0.00 179.45 177.81 1aab h ALA 65 N 1.27 0.22 0.00 5.00 0.00 0.12 -1.71 119.26 124.16 1aab h ALA 65 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1aab h ALA 65 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1aab h ALA 65 CO 0.10 0.05 0.00 -0.44 0.00 0.00 0.00 179.25 178.96 1aab h ASP 66 N -0.00 0.00 -0.32 0.00 5.19 -1.30 -0.19 116.42 119.79 1aab h ASP 66 Ca 0.03 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 1aab h ASP 66 Cb 0.59 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1aab h ASP 66 CO 0.03 0.00 -0.03 0.50 -3.12 0.00 0.00 179.24 176.62 1aab h LYS 67 N 0.00 0.70 -0.04 3.56 3.64 -0.80 0.51 116.57 124.14 1aab h LYS 67 Ca 0.00 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1aab h LYS 67 Cb 0.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1aab h LYS 67 CO 0.00 0.74 -0.08 0.00 -2.27 0.00 0.00 179.45 177.84 1aab h ALA 68 N 1.31 1.79 0.00 5.00 0.00 -0.94 0.32 119.26 126.74 1aab h ALA 68 Ca 0.13 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1aab h ALA 68 Cb 0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1aab h ALA 68 CO 0.02 0.16 -0.66 0.00 0.00 0.00 0.00 179.25 178.78 1aab h ARG 69 N 0.06 0.00 -0.22 0.00 2.47 -0.97 -0.88 114.38 114.84 1aab h ARG 69 Ca 0.01 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.57 1aab h ARG 69 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1aab h ARG 69 CO 0.01 0.41 -0.52 -0.92 0.56 0.00 0.00 179.97 179.51 1aab h TYR 70 N 0.00 0.77 0.10 3.04 5.03 0.19 -2.77 116.97 123.34 1aab h TYR 70 Ca -0.03 -0.27 -0.33 0.00 2.58 0.00 0.00 58.73 60.69 1aab h TYR 70 Cb 1.38 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.50 1aab h TYR 70 CO 0.00 1.01 -1.73 0.93 -1.32 0.00 0.00 178.16 177.05 1aab h GLU 71 N 0.48 0.22 0.00 1.82 5.08 -1.21 -3.31 114.58 117.66 1aab h GLU 71 Ca 0.02 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1aab h GLU 71 Cb 1.07 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1aab h GLU 71 CO 0.10 1.05 0.00 -0.09 -1.00 0.00 0.00 179.01 179.07 1aab h ARG 72 N 0.06 0.00 0.00 2.33 2.43 -1.20 -2.08 114.38 115.91 1aab h ARG 72 Ca -0.32 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 1aab h ARG 72 Cb 2.03 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1aab h ARG 72 CO 0.13 0.00 -0.76 0.93 -1.51 0.00 0.00 179.97 178.75 1aab h GLU 73 N 0.00 0.00 0.00 0.20 5.08 -1.59 -3.30 114.58 114.98 1aab h GLU 73 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aab h GLU 73 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1aab h GLU 73 CO 0.00 0.07 0.00 -1.33 -1.00 0.00 0.00 179.01 176.75 1aab n MET 74 N -2.85 0.17 0.00 2.33 2.81 -0.78 -2.93 117.12 115.86 1aab n MET 74 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1aab n MET 74 Cb 0.60 -1.45 0.02 0.00 -0.71 0.00 0.00 33.22 31.67 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 -0.95 0.02 0.00 0.03 4.76 -1.24 -0.82 118.16 119.95 1aab n LYS 75 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1aab n LYS 75 Cb 0.02 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1aab n LYS 75 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1aab n THR 76 N -0.91 0.00 0.00 -0.18 -2.24 -1.15 -4.99 114.28 104.81 1aab n THR 76 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1aab n THR 76 Cb 0.00 1.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 1aab n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aab n TYR 77 N 0.00 0.00 -2.57 4.78 9.36 -0.00 -5.07 117.16 123.65 1aab n TYR 77 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 1aab n TYR 77 Cb 0.20 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.89 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 -0.09 -9.98 -0.60 2.97 -0.00 -1.25 -4.97 119.36 105.44 1aab n ILE 78 Ca 0.00 2.20 -0.29 0.00 -0.00 0.00 0.00 62.75 64.65 1aab n ILE 78 Cb 0.00 -5.33 0.26 0.00 -0.00 0.00 0.00 39.64 34.56 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 -0.48 -1.66 0.00 0.38 0.02 -1.26 -5.01 135.00 126.99 1aab s PRO 79 Ca -0.15 0.41 0.00 0.00 0.02 0.00 0.00 61.00 61.29 1aab s PRO 79 Cb 0.01 -1.50 0.00 0.00 0.02 0.00 0.00 34.50 33.03 1aab s PRO 79 CO 0.40 -4.11 0.00 -0.35 -0.33 0.00 0.00 177.00 172.61 1aab n PRO 80 N -5.13 0.34 -2.71 5.54 -0.04 -1.26 -5.04 135.00 126.70 1aab n PRO 80 Ca 0.08 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.46 1aab n PRO 80 Cb 0.57 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.13 1aab n PRO 80 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1aab n LYS 81 N -0.46 0.90 -2.73 0.54 2.85 -1.26 -5.02 118.16 112.98 1aab n LYS 81 Ca 0.00 -1.68 -0.07 0.00 -1.05 0.00 0.00 58.31 55.51 1aab n LYS 81 Cb 0.00 -0.64 0.06 0.00 -0.65 0.00 0.00 35.03 33.80 1aab n LYS 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aab n GLY 82 N 0.12 -0.25 0.00 2.58 0.00 -1.26 -5.36 105.19 101.02 1aab n GLY 82 Ca 0.01 0.30 0.10 0.00 0.00 0.00 0.00 46.02 46.43 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11