#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 4.17 0.00 1.61 2.20 -1.26 -4.80 119.74 121.65 1aab s LYS 2 Ca 0.00 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1aab s LYS 2 Cb 0.00 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1aab s LYS 2 CO 0.00 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 1aab n GLY 3 N 4.10 -1.81 2.58 5.54 0.00 -1.26 -5.09 105.19 109.25 1aab n GLY 3 Ca 0.17 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.84 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 -1.93 0.00 1.61 8.00 -1.26 -4.97 116.55 118.01 1aab n ASP 4 Ca 0.00 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.33 1aab n ASP 4 Cb 0.00 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.21 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 1.43 0.00 0.00 -0.24 -0.02 -1.26 -1.77 135.00 133.14 1aab n PRO 5 Ca 0.12 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1aab n PRO 5 Cb 0.61 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.35 0.00 -1.07 -0.52 4.01 -1.26 -4.66 118.16 113.30 1aab n LYS 6 Ca 0.00 0.44 -0.34 0.00 -0.51 0.00 0.00 58.31 57.91 1aab n LYS 6 Cb 0.01 -1.50 0.12 0.00 -0.51 0.00 0.00 35.03 33.15 1aab n LYS 6 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1aab n LYS 7 N -1.44 0.12 -1.50 1.97 2.85 -0.73 -4.42 118.16 115.01 1aab n LYS 7 Ca 0.00 0.11 -0.49 0.00 -1.05 0.00 0.00 58.31 56.87 1aab n LYS 7 Cb 0.00 -2.27 -0.04 0.00 -0.65 0.00 0.00 35.03 32.07 1aab n LYS 7 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1aab n PRO 8 N -2.75 0.56 0.00 -1.58 -0.02 -1.26 -4.90 135.00 125.05 1aab n PRO 8 Ca 0.12 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1aab n PRO 8 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 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 1.25 0.00 0.00 -0.52 0.63 -1.26 -4.92 116.66 111.83 1aab n ARG 9 Ca 0.16 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 1aab n ARG 9 Cb 0.23 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.14 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 -0.94 1.58 3.72 5.14 0.00 -1.26 -5.11 105.19 108.33 1aab n GLY 10 Ca 0.00 0.43 -0.65 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.28 -1.84 1.61 -0.00 -1.26 -4.92 118.16 112.02 1aab n LYS 11 Ca 0.00 0.10 -0.30 0.00 -0.00 0.00 0.00 58.31 58.12 1aab n LYS 11 Cb 0.00 -1.65 0.07 0.00 -0.00 0.00 0.00 35.03 33.45 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 2.91 2.45 0.72 -1.58 -1.94 -1.26 -5.00 119.30 115.60 1aab s MET 12 Ca 1.02 0.37 -0.07 0.00 -1.71 0.00 0.00 55.69 55.30 1aab s MET 12 Cb -1.38 -1.98 0.07 0.00 2.01 0.00 0.00 34.83 33.55 1aab s MET 12 CO 0.76 -1.30 1.04 0.45 -0.01 0.00 0.00 175.02 175.96 1aab s SER 13 N -4.36 4.70 0.32 3.03 0.15 -1.26 -4.72 113.70 111.55 1aab s SER 13 Ca 0.60 0.45 0.04 0.00 0.70 0.00 0.00 55.95 57.74 1aab s SER 13 Cb -0.11 -1.05 0.54 0.00 -1.71 0.00 0.00 66.02 63.69 1aab s SER 13 CO 0.51 -1.68 1.81 0.77 1.20 0.00 0.00 173.24 175.85 1aab h SER 14 N -0.68 0.45 0.02 5.45 4.64 -1.92 -1.17 113.55 120.33 1aab h SER 14 Ca -0.44 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1aab h SER 14 Cb 1.31 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1aab h SER 14 CO 0.59 0.61 -0.01 0.22 -0.87 0.00 0.00 176.83 177.37 1aab h TYR 15 N 0.43 -0.02 -0.52 4.77 3.20 -1.93 -3.01 116.97 119.89 1aab h TYR 15 Ca 0.08 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.10 1aab h TYR 15 Cb 0.48 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1aab h TYR 15 CO 0.01 0.66 0.41 0.00 -1.64 0.00 0.00 178.16 177.60 1aab h ALA 16 N 0.22 2.40 -0.15 1.82 0.00 -1.91 0.42 119.26 122.05 1aab h ALA 16 Ca -0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1aab h ALA 16 Cb 0.69 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1aab h ALA 16 CO 0.00 -0.68 -0.42 0.74 0.00 0.00 0.00 179.25 178.89 1aab h PHE 17 N 0.00 0.42 0.00 0.00 0.04 -1.09 -1.54 116.94 114.77 1aab h PHE 17 Ca 0.25 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1aab h PHE 17 Cb 1.07 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1aab h PHE 17 CO 0.00 0.72 0.00 0.35 -0.60 0.00 0.00 178.31 178.78 1aab h PHE 18 N 0.29 0.00 0.06 -0.55 3.04 -0.11 -3.02 116.94 116.65 1aab h PHE 18 Ca 0.02 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 1aab h PHE 18 Cb 0.87 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.39 1aab h PHE 18 CO 0.02 0.00 -0.36 0.28 -2.02 0.00 0.00 178.31 176.23 1aab h VAL 19 N 0.00 1.65 -0.02 1.41 2.07 -0.52 -0.06 116.25 120.78 1aab h VAL 19 Ca 0.00 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 65.16 1aab h VAL 19 Cb 0.88 3.23 -0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1aab h VAL 19 CO 0.00 0.64 0.02 0.06 0.02 0.00 0.00 177.57 178.31 1aab h GLN 20 N -0.67 0.00 0.02 1.57 -0.00 -1.35 1.09 115.11 115.76 1aab h GLN 20 Ca -0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.38 1aab h GLN 20 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.72 1aab h GLN 20 CO 0.07 0.00 -1.00 1.15 -0.00 0.00 0.00 178.83 179.04 1aab h THR 21 N 0.00 1.67 0.00 1.86 2.02 -1.46 -3.01 112.91 114.00 1aab h THR 21 Ca 0.01 -3.28 0.00 0.00 0.77 0.00 0.00 66.41 63.91 1aab h THR 21 Cb 0.05 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1aab h THR 21 CO -0.00 0.94 -0.44 -1.28 0.37 0.00 0.00 175.52 175.11 1aab h SER 22 N 0.01 0.00 -0.04 4.18 0.87 0.17 -3.32 113.55 115.42 1aab h SER 22 Ca -0.03 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 1aab h SER 22 Cb 1.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1aab h SER 22 CO 0.14 0.06 -0.24 -0.09 -0.53 0.00 0.00 176.83 176.16 1aab h ARG 23 N 0.00 0.24 -0.43 2.24 2.43 0.11 -1.71 114.38 117.26 1aab h ARG 23 Ca 0.00 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 1aab h ARG 23 Cb 0.79 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1aab h ARG 23 CO 0.00 0.86 0.25 0.93 -1.51 0.00 0.00 179.97 180.49 1aab h GLU 24 N -0.31 0.58 0.00 0.20 5.08 -1.64 0.12 114.58 118.61 1aab h GLU 24 Ca -0.02 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1aab h GLU 24 Cb 0.91 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1aab h GLU 24 CO 0.05 0.42 -0.66 1.05 -1.00 0.00 0.00 179.01 178.87 1aab h GLU 25 N 0.59 0.00 0.00 2.33 4.11 -1.65 -3.07 114.58 116.89 1aab h GLU 25 Ca 0.16 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.53 1aab h GLU 25 Cb -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1aab h GLU 25 CO -0.03 0.66 -0.31 1.25 0.07 0.00 0.00 179.01 180.65 1aab h HIS 26 N 0.00 0.00 0.00 2.06 2.76 -0.22 -3.18 115.15 116.57 1aab h HIS 26 Ca -0.01 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1aab h HIS 26 Cb 1.32 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.28 1aab h HIS 26 CO 0.00 0.28 -0.08 -0.22 -1.30 0.00 0.00 177.93 176.60 1aab h LYS 27 N 0.00 0.00 -0.20 5.26 3.64 -0.72 0.22 116.57 124.76 1aab h LYS 27 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1aab h LYS 27 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1aab h LYS 27 CO 0.04 0.08 0.00 1.63 -2.27 0.00 0.00 179.45 178.93 1aab n LYS 28 N -3.67 1.47 0.00 1.90 5.02 -1.20 -3.85 118.16 117.83 1aab n LYS 28 Ca -0.02 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 1aab n LYS 28 Cb 0.19 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.09 0.00 -3.10 1.97 4.81 -0.53 -4.98 118.16 116.41 1aab n LYS 29 Ca 0.07 -0.13 -0.18 0.00 -0.87 0.00 0.00 58.31 57.20 1aab n LYS 29 Cb 0.17 -0.18 -0.02 0.00 0.02 0.00 0.00 35.03 35.02 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 0.00 -0.62 0.45 5.64 8.25 -0.05 -4.93 115.22 123.96 1aab n HIS 30 Ca 0.00 -3.38 0.13 0.00 -0.26 0.00 0.00 57.72 54.21 1aab n HIS 30 Cb 0.42 -0.01 0.45 0.00 1.12 0.00 0.00 29.99 31.97 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 3.41 0.00 0.01 -0.41 0.13 -1.83 -3.23 132.00 130.09 1aab h PRO 31 Ca 0.05 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.84 1aab h PRO 31 Cb 0.96 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.03 1aab h PRO 31 CO 0.43 0.00 -2.04 -0.40 -0.23 0.00 0.00 178.00 175.76 1aab n ASP 32 N -2.43 0.78 -0.03 1.44 5.68 -1.26 -4.26 116.55 116.46 1aab n ASP 32 Ca 0.03 0.20 0.09 0.00 -0.50 0.00 0.00 54.79 54.62 1aab n ASP 32 Cb 0.34 0.21 0.49 0.00 -1.14 0.00 0.00 41.12 41.02 1aab n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aab h ALA 33 N 0.83 1.92 0.00 2.12 0.00 -1.95 -3.44 119.26 118.73 1aab h ALA 33 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1aab h ALA 33 Cb 2.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1aab h ALA 33 CO 0.05 -0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.72 1aab n SER 34 N -4.47 0.00 -3.25 0.00 7.64 -1.25 -4.09 113.62 108.18 1aab n SER 34 Ca 0.07 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.72 1aab n SER 34 Cb 0.25 -1.65 0.02 0.00 -1.01 0.00 0.00 64.21 61.83 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 -5.79 0.77 0.44 0.31 -1.26 -4.83 118.33 105.98 1aab n VAL 35 Ca 0.00 0.46 0.03 0.00 -0.01 0.00 0.00 64.34 64.82 1aab n VAL 35 Cb 0.00 -4.54 0.11 0.00 -0.91 0.00 0.00 33.84 28.50 1aab n VAL 35 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1aab n ASN 36 N 0.10 1.92 -3.91 4.52 5.15 -1.26 -4.86 115.26 116.93 1aab n ASN 36 Ca -0.02 -2.17 -0.31 0.00 -0.60 0.00 0.00 54.58 51.48 1aab n ASN 36 Cb 0.56 -0.40 -0.00 0.00 -0.53 0.00 0.00 39.78 39.40 1aab n ASN 36 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1aab n PHE 37 N 0.16 -1.96 -1.71 1.20 3.72 -1.26 -4.67 117.46 112.95 1aab n PHE 37 Ca 0.08 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.24 1aab n PHE 37 Cb 0.40 -3.32 0.00 0.00 -0.94 0.00 0.00 39.48 35.62 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 -2.63 0.00 0.00 4.37 2.88 -1.26 -4.87 113.62 112.11 1aab n SER 38 Ca 0.05 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 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 -0.62 -1.23 0.00 0.00 175.04 173.19 1aab n GLU 39 N 0.00 1.80 -0.08 -1.46 1.02 -1.26 -4.93 120.64 115.72 1aab n GLU 39 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1aab n GLU 39 Cb 0.46 -0.18 -0.06 0.00 -0.02 0.00 0.00 31.44 31.65 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1aab h PHE 40 N 0.00 0.00 0.00 -0.32 3.57 -1.93 -3.34 116.94 114.92 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 0.59 0.39 0.77 -2.23 0.00 0.00 178.31 177.83 1aab h SER 41 N -1.00 0.00 -0.32 0.41 0.02 -1.93 0.64 113.55 111.37 1aab h SER 41 Ca -0.12 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1aab h SER 41 Cb 0.75 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1aab h SER 41 CO -0.07 0.00 -0.05 0.11 -1.14 0.00 0.00 176.83 175.68 1aab h LYS 42 N 0.00 0.71 0.04 3.45 1.79 -1.92 0.49 116.57 121.13 1aab h LYS 42 Ca 0.00 -0.20 -0.06 0.00 -2.18 0.00 0.00 60.65 58.21 1aab h LYS 42 Cb 0.79 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1aab h LYS 42 CO 0.00 0.76 -0.25 0.87 -1.08 0.00 0.00 179.45 179.75 1aab h LYS 43 N 0.66 0.10 -0.59 3.15 6.56 0.11 -3.11 116.57 123.46 1aab h LYS 43 Ca 0.12 -0.16 0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1aab h LYS 43 Cb 0.49 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.18 1aab h LYS 43 CO 0.03 1.05 0.39 0.00 -2.06 0.00 0.00 179.45 178.85 1aab h SER 45 N 0.76 -0.25 0.41 0.00 0.87 -0.97 0.52 113.55 114.88 1aab h SER 45 Ca 0.22 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1aab h SER 45 Cb -0.03 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1aab h SER 45 CO -0.05 -0.13 0.00 -0.08 -0.53 0.00 0.00 176.83 176.04 1aab h GLU 46 N -0.14 0.00 -0.00 2.24 4.81 -1.27 0.15 114.58 120.37 1aab h GLU 46 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1aab h GLU 46 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1aab h GLU 46 CO -0.10 0.00 -0.54 -2.13 -0.73 0.00 0.00 179.01 175.51 1aab n ARG 47 N -2.95 0.04 -0.05 1.92 0.63 0.75 -3.98 116.66 113.02 1aab n ARG 47 Ca -0.01 -0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 56.81 1aab n ARG 47 Cb 0.16 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.54 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 -1.46 0.00 0.21 -0.14 -0.00 0.15 -4.45 117.44 111.75 1aab n TRP 48 Ca 0.06 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.62 1aab n TRP 48 Cb 0.34 -0.39 0.36 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 -0.69 0.00 0.06 5.87 1.57 -1.02 0.11 116.57 122.48 1aab h LYS 49 Ca -0.06 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.52 1aab h LYS 49 Cb 0.78 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.11 1aab h LYS 49 CO -0.04 0.00 -0.79 0.00 -0.57 0.00 0.00 179.45 178.05 1aab h THR 50 N 0.00 1.42 -2.75 -0.16 1.03 -1.76 -3.46 112.91 107.22 1aab h THR 50 Ca 0.00 -2.28 -0.34 0.00 -0.01 0.00 0.00 66.41 63.78 1aab h THR 50 Cb 0.86 2.77 0.20 0.00 -1.07 0.00 0.00 68.15 70.92 1aab h THR 50 CO 0.00 0.67 -0.18 0.23 -0.01 0.00 0.00 175.52 176.23 1aab n MET 51 N -4.10 -4.25 -4.11 0.00 2.81 0.39 -5.05 117.12 102.81 1aab n MET 51 Ca -0.12 -1.26 -0.24 0.00 -1.81 0.00 0.00 57.70 54.27 1aab n MET 51 Cb 0.78 -1.85 -0.07 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.82 4.52 0.61 7.83 0.01 -1.26 -4.94 113.70 117.64 1aab s SER 52 Ca 0.61 -0.93 0.28 0.00 1.31 0.00 0.00 55.95 57.21 1aab s SER 52 Cb -0.12 -0.58 1.37 0.00 0.21 0.00 0.00 66.02 66.90 1aab s SER 52 CO 0.52 -0.41 1.78 0.00 0.41 0.00 0.00 173.24 175.54 1aab h ALA 53 N 1.50 2.15 0.57 1.44 0.00 -1.96 -0.16 119.26 122.80 1aab h ALA 53 Ca -0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1aab h ALA 53 Cb 1.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1aab h ALA 53 CO 0.66 -0.82 -0.38 0.87 0.00 0.00 0.00 179.25 179.58 1aab h LYS 54 N 0.00 -0.87 -0.29 0.00 1.57 -1.98 0.95 116.57 115.95 1aab h LYS 54 Ca 0.21 0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 1aab h LYS 54 Cb 1.39 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.89 1aab h LYS 54 CO -0.00 -0.58 -0.51 0.93 -0.57 0.00 0.00 179.45 178.72 1aab h GLU 55 N -0.91 0.86 0.00 3.15 5.08 -1.75 -2.17 114.58 118.85 1aab h GLU 55 Ca -0.08 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1aab h GLU 55 Cb 0.73 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1aab h GLU 55 CO 0.06 1.17 0.00 1.63 -1.00 0.00 0.00 179.01 180.87 1aab n LYS 56 N -4.05 0.35 0.08 2.33 5.02 -0.15 -2.15 118.16 119.58 1aab n LYS 56 Ca -0.04 0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 1aab n LYS 56 Cb 0.61 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.97 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 2.68 0.45 2.00 0.72 0.00 0.16 -2.10 103.07 106.99 1aab h GLY 57 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 47.33 46.15 1aab h GLY 57 CO 0.00 1.02 -0.11 1.70 0.00 0.00 0.00 176.54 179.15 1aab h LYS 58 N -0.06 0.00 0.00 4.80 3.11 -1.39 -2.35 116.57 120.68 1aab h LYS 58 Ca -0.26 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.43 1aab h LYS 58 Cb 1.96 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.17 1aab h LYS 58 CO 0.18 0.11 -1.06 0.74 -2.81 0.00 0.00 179.45 176.62 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.57 -3.07 116.94 114.25 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 0.70 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1aab h PHE 59 CO 0.00 0.56 -0.24 0.93 -0.60 0.00 0.00 178.31 178.96 1aab h GLU 60 N 0.00 0.00 0.05 1.51 4.39 -0.94 -2.81 114.58 116.77 1aab h GLU 60 Ca -0.10 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.44 1aab h GLU 60 Cb 1.51 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.18 1aab h GLU 60 CO 0.06 0.24 -0.68 0.22 -1.16 0.00 0.00 179.01 177.69 1aab h ASP 61 N 0.00 0.51 0.37 1.42 3.58 -1.37 -2.64 116.42 118.29 1aab h ASP 61 Ca -0.00 -0.83 -0.01 0.00 0.42 0.00 0.00 57.03 56.61 1aab h ASP 61 Cb 0.92 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.80 1aab h ASP 61 CO 0.03 1.28 -0.23 0.24 -2.88 0.00 0.00 179.24 177.69 1aab h MET 62 N -0.19 -0.55 -0.56 0.28 2.86 -1.47 0.48 114.93 115.78 1aab h MET 62 Ca -0.10 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.68 1aab h MET 62 Cb 1.43 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.18 1aab h MET 62 CO 0.13 -0.37 0.38 0.00 1.06 0.00 0.00 176.91 178.11 1aab h ALA 63 N 0.04 2.10 0.00 6.32 0.00 -1.61 0.35 119.26 126.45 1aab h ALA 63 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1aab h ALA 63 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1aab h ALA 63 CO 0.04 -0.23 -0.37 0.87 0.00 0.00 0.00 179.25 179.56 1aab h LYS 64 N 0.32 0.00 -0.04 0.00 1.57 -0.87 -2.17 116.57 115.38 1aab h LYS 64 Ca 0.26 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1aab h LYS 64 Cb 0.59 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1aab h LYS 64 CO -0.06 0.37 -0.38 0.00 -0.57 0.00 0.00 179.45 178.81 1aab h ALA 65 N 1.63 0.10 -0.03 3.86 0.00 0.38 -3.02 119.26 122.19 1aab h ALA 65 Ca -0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1aab h ALA 65 Cb 1.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1aab h ALA 65 CO 0.05 0.21 -0.24 0.22 0.00 0.00 0.00 179.25 179.49 1aab h ASP 66 N -0.19 0.05 -0.94 0.00 1.82 -1.11 -2.06 116.42 113.99 1aab h ASP 66 Ca -0.03 -0.01 0.07 0.00 -0.39 0.00 0.00 57.03 56.66 1aab h ASP 66 Cb 1.06 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.99 1aab h ASP 66 CO 0.08 0.30 0.60 0.50 -1.61 0.00 0.00 179.24 179.10 1aab h LYS 67 N 0.05 1.04 0.00 0.28 3.64 -1.26 0.39 116.57 120.71 1aab h LYS 67 Ca 0.01 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1aab h LYS 67 Cb 0.46 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1aab h LYS 67 CO 0.03 0.69 -0.37 0.00 -2.27 0.00 0.00 179.45 177.52 1aab h ALA 68 N 1.44 0.98 0.00 5.00 0.00 -1.29 -1.92 119.26 123.47 1aab h ALA 68 Ca 0.42 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1aab h ALA 68 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1aab h ALA 68 CO -0.19 0.47 -0.82 0.00 0.00 0.00 0.00 179.25 178.71 1aab h ARG 69 N 0.00 0.00 0.05 0.00 2.47 -0.80 -2.47 114.38 113.64 1aab h ARG 69 Ca -0.00 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.45 1aab h ARG 69 Cb 0.92 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.21 1aab h ARG 69 CO 0.05 0.82 -1.35 -0.92 0.56 0.00 0.00 179.97 179.13 1aab h TYR 70 N 0.00 0.20 0.00 3.04 5.03 -0.84 -3.29 116.97 121.11 1aab h TYR 70 Ca -0.01 -0.15 -0.00 0.00 2.58 0.00 0.00 58.73 61.15 1aab h TYR 70 Cb 1.48 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.76 1aab h TYR 70 CO 0.00 1.16 -0.04 0.93 -1.32 0.00 0.00 178.16 178.89 1aab h GLU 71 N 0.03 0.00 -0.25 1.82 4.39 -1.40 -3.30 114.58 115.87 1aab h GLU 71 Ca -0.16 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.62 1aab h GLU 71 Cb 1.92 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.56 1aab h GLU 71 CO 0.14 0.26 0.34 -0.09 -1.16 0.00 0.00 179.01 178.49 1aab h ARG 72 N -1.00 0.00 0.00 2.33 2.43 -1.64 0.57 114.38 117.07 1aab h ARG 72 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1aab h ARG 72 Cb 0.28 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1aab h ARG 72 CO -0.00 0.00 -0.26 0.93 -1.51 0.00 0.00 179.97 179.13 1aab h GLU 73 N 0.00 0.00 -0.06 0.20 5.08 -1.67 -3.17 114.58 114.97 1aab h GLU 73 Ca 0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1aab h GLU 73 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1aab h GLU 73 CO -0.00 0.26 -0.27 0.52 -1.00 0.00 0.00 179.01 178.52 1aab h MET 74 N 0.00 0.10 0.00 2.33 2.86 -0.95 0.38 114.93 119.65 1aab h MET 74 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1aab h MET 74 Cb 1.05 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1aab h MET 74 CO 0.03 0.37 0.02 1.63 1.06 0.00 0.00 176.91 180.02 1aab n LYS 75 N -4.18 0.00 0.00 1.72 4.01 -1.20 -2.17 118.16 116.33 1aab n LYS 75 Ca -0.02 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 1aab n LYS 75 Cb 0.34 -1.52 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1aab n LYS 75 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1aab n THR 76 N -1.11 0.00 -2.95 -0.18 -2.24 -0.76 -5.10 114.28 101.93 1aab n THR 76 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1aab n THR 76 Cb 0.02 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 -2.26 -3.89 4.78 9.36 0.12 -4.98 117.16 120.30 1aab n TYR 77 Ca 0.00 1.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.89 1aab n TYR 77 Cb 0.00 -2.68 -0.13 0.00 -0.63 0.00 0.00 39.34 35.90 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 -1.39 2.89 0.19 2.97 1.01 -1.25 -4.99 121.20 120.63 1aab s ILE 78 Ca 0.02 -2.98 -0.12 0.00 0.00 0.00 0.00 60.65 57.56 1aab s ILE 78 Cb -0.00 -2.98 0.10 0.00 0.01 0.00 0.00 42.46 39.58 1aab s ILE 78 CO 0.45 -0.78 1.84 -0.65 0.00 0.00 0.00 174.94 175.81 1aab h PRO 79 N 6.93 0.83 0.00 2.79 0.11 -1.94 -3.41 132.00 137.31 1aab h PRO 79 Ca -0.06 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1aab h PRO 79 Cb 0.94 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1aab h PRO 79 CO 0.67 0.57 0.00 -0.35 -0.21 0.00 0.00 178.00 178.68 1aab n PRO 80 N -4.63 0.63 -1.83 1.05 -0.04 -1.26 -4.60 135.00 124.32 1aab n PRO 80 Ca 0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 1aab n PRO 80 Cb 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.37 3.55 0.00 0.54 5.02 -1.26 -4.72 118.16 120.92 1aab n LYS 81 Ca 0.00 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 1aab n LYS 81 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 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 0.98 -0.81 2.95 0.72 0.00 -1.26 -5.24 105.19 102.53 1aab n GLY 82 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1aab n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50