#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 4.39 0.00 1.61 -2.85 -1.26 -5.01 119.74 116.63 1aab s LYS 2 Ca 0.00 1.66 0.00 0.00 -1.00 0.00 0.00 55.97 56.63 1aab s LYS 2 Cb 0.00 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 1aab s LYS 2 CO 0.00 0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.89 1aab n GLY 3 N 0.78 2.48 1.03 0.59 0.00 -1.26 -5.12 105.19 103.69 1aab n GLY 3 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.20 -1.24 0.23 1.61 8.00 -1.26 -4.86 116.55 118.83 1aab n ASP 4 Ca 0.00 0.41 0.17 0.00 0.71 0.00 0.00 54.79 56.08 1aab n ASP 4 Cb 0.00 1.39 0.75 0.00 -0.02 0.00 0.00 41.12 43.25 1aab n ASP 4 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1aab h PRO 5 N 0.00 0.00 -2.09 -0.24 0.13 -2.04 -1.39 132.00 126.37 1aab h PRO 5 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1aab h PRO 5 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1aab h PRO 5 CO 0.00 0.00 -0.97 1.63 -0.23 0.00 0.00 178.00 178.43 1aab n LYS 6 N -3.21 1.64 -0.18 0.86 5.02 -1.26 -4.96 118.16 116.07 1aab n LYS 6 Ca 0.02 -3.85 -0.01 0.00 -2.02 0.00 0.00 58.31 52.45 1aab n LYS 6 Cb 0.52 -1.79 0.09 0.00 -0.02 0.00 0.00 35.03 33.82 1aab n LYS 6 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1aab h LYS 7 N 3.37 0.31 -5.99 1.97 3.11 -1.58 -3.34 116.57 114.42 1aab h LYS 7 Ca 0.11 -0.02 -0.46 0.00 -2.81 0.00 0.00 60.65 57.47 1aab h LYS 7 Cb 0.80 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 31.90 1aab h LYS 7 CO 0.61 0.21 1.13 -1.25 -2.81 0.00 0.00 179.45 177.33 1aab s PRO 8 N -6.12 2.91 -0.75 1.90 0.05 -1.26 -4.89 135.00 126.85 1aab s PRO 8 Ca -0.13 -0.22 -0.26 0.00 0.05 0.00 0.00 61.00 60.44 1aab s PRO 8 Cb 0.16 -4.79 -0.12 0.00 0.05 0.00 0.00 34.50 29.80 1aab s PRO 8 CO 0.74 -2.73 2.38 0.50 0.05 0.00 0.00 177.00 177.94 1aab s ARG 9 N 6.35 1.72 0.00 4.56 3.00 -1.26 -4.59 118.95 128.73 1aab s ARG 9 Ca 0.58 0.59 0.00 0.00 -1.00 0.00 0.00 55.73 55.89 1aab s ARG 9 Cb -0.07 -4.77 0.00 0.00 0.00 0.00 0.00 34.95 30.11 1aab s ARG 9 CO 0.06 -4.23 0.00 0.41 0.00 0.00 0.00 175.30 171.54 1aab n GLY 10 N 6.69 3.59 2.66 8.12 0.00 -1.26 -4.98 105.19 120.00 1aab n GLY 10 Ca 0.45 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -1.08 -2.00 1.61 4.81 -1.26 -4.83 118.16 115.41 1aab n LYS 11 Ca 0.00 0.05 -0.35 0.00 -0.87 0.00 0.00 58.31 57.15 1aab n LYS 11 Cb 0.00 -2.23 0.03 0.00 0.02 0.00 0.00 35.03 32.85 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 -3.66 3.01 0.89 1.64 -1.94 -1.26 -4.93 119.30 113.04 1aab s MET 12 Ca 0.32 1.64 -0.12 0.00 -1.71 0.00 0.00 55.69 55.83 1aab s MET 12 Cb -0.19 -1.95 0.12 0.00 2.01 0.00 0.00 34.83 34.82 1aab s MET 12 CO 0.39 -1.14 1.10 -1.12 -0.01 0.00 0.00 175.02 174.24 1aab s SER 13 N -1.92 3.58 0.38 3.03 0.01 -1.26 -4.67 113.70 112.86 1aab s SER 13 Ca 0.73 1.38 0.13 0.00 1.31 0.00 0.00 55.95 59.50 1aab s SER 13 Cb -0.26 -2.06 0.77 0.00 0.21 0.00 0.00 66.02 64.68 1aab s SER 13 CO 0.34 -2.55 1.85 0.77 0.41 0.00 0.00 173.24 174.05 1aab h SER 14 N -1.49 0.00 0.02 2.44 4.64 -1.93 -2.03 113.55 115.19 1aab h SER 14 Ca -0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1aab h SER 14 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1aab h SER 14 CO 0.56 0.35 -0.01 0.22 -0.87 0.00 0.00 176.83 177.08 1aab h TYR 15 N 0.00 -0.02 -0.40 4.77 3.20 -1.91 -3.03 116.97 119.58 1aab h TYR 15 Ca -0.00 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.98 1aab h TYR 15 Cb 0.62 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1aab h TYR 15 CO 0.00 0.72 0.40 0.00 -1.64 0.00 0.00 178.16 177.64 1aab h ALA 16 N 0.13 2.14 -0.16 1.82 0.00 -1.90 0.56 119.26 121.85 1aab h ALA 16 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 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 -0.61 -0.47 0.74 0.00 0.00 0.00 179.25 178.91 1aab h PHE 17 N 0.00 0.50 0.00 0.00 0.04 -1.25 -0.78 116.94 115.44 1aab h PHE 17 Ca 0.19 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1aab h PHE 17 Cb 1.00 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.05 1aab h PHE 17 CO 0.00 0.81 0.00 0.35 -0.60 0.00 0.00 178.31 178.87 1aab h PHE 18 N 0.33 0.00 0.10 -0.55 3.04 0.18 -2.87 116.94 117.17 1aab h PHE 18 Ca 0.02 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.82 1aab h PHE 18 Cb 0.95 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.47 1aab h PHE 18 CO 0.03 0.00 -0.72 0.28 -2.02 0.00 0.00 178.31 175.88 1aab h VAL 19 N 0.00 1.49 0.00 1.41 2.07 -0.60 -0.35 116.25 120.27 1aab h VAL 19 Ca 0.00 -2.46 -0.00 0.00 0.82 0.00 0.00 66.70 65.06 1aab h VAL 19 Cb 0.82 3.14 -0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1aab h VAL 19 CO 0.00 0.67 -0.01 0.06 0.02 0.00 0.00 177.57 178.31 1aab h GLN 20 N -0.55 0.00 0.12 1.57 -0.00 -1.18 1.09 115.11 116.16 1aab h GLN 20 Ca -0.14 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.22 1aab h GLN 20 Cb 1.48 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.96 1aab h GLN 20 CO 0.08 0.01 -1.42 1.15 -0.00 0.00 0.00 178.83 178.66 1aab h THR 21 N 0.00 1.29 0.00 1.86 2.02 -1.44 -3.05 112.91 113.59 1aab h THR 21 Ca -0.00 -2.91 0.00 0.00 0.77 0.00 0.00 66.41 64.27 1aab h THR 21 Cb 0.03 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1aab h THR 21 CO 0.00 0.84 -0.29 -1.20 0.37 0.00 0.00 175.52 175.24 1aab n SER 22 N -3.47 0.66 0.01 4.18 7.64 0.16 -3.54 113.62 119.25 1aab n SER 22 Ca -0.13 0.32 -0.10 0.00 1.01 0.00 0.00 58.87 59.97 1aab n SER 22 Cb 1.04 -0.30 -0.07 0.00 -1.01 0.00 0.00 64.21 63.86 1aab n SER 22 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1aab h ARG 23 N 0.00 -0.14 -0.05 1.43 2.43 0.11 -0.46 114.38 117.71 1aab h ARG 23 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1aab h ARG 23 Cb 0.70 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1aab h ARG 23 CO 0.00 0.33 0.04 0.93 -1.51 0.00 0.00 179.97 179.76 1aab h GLU 24 N -0.91 0.00 0.00 0.20 5.08 -1.65 0.96 114.58 118.26 1aab h GLU 24 Ca -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1aab h GLU 24 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1aab h GLU 24 CO 0.02 0.00 -0.71 0.93 -1.00 0.00 0.00 179.01 178.25 1aab h GLU 25 N 0.00 0.00 0.11 2.33 4.39 -1.60 -3.32 114.58 116.50 1aab h GLU 25 Ca 0.02 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.43 1aab h GLU 25 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1aab h GLU 25 CO -0.00 0.49 -1.44 1.25 -1.16 0.00 0.00 179.01 178.15 1aab h HIS 26 N 0.00 0.43 0.00 4.33 -0.00 0.83 -3.24 115.15 117.51 1aab h HIS 26 Ca -0.04 -0.31 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 1aab h HIS 26 Cb 1.45 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.84 1aab h HIS 26 CO 0.00 1.33 0.00 1.17 -0.00 0.00 0.00 177.93 180.43 1aab n LYS 27 N -3.45 0.02 0.05 5.26 4.81 0.05 -1.53 118.16 123.36 1aab n LYS 27 Ca -0.14 0.38 0.13 0.00 -0.87 0.00 0.00 58.31 57.81 1aab n LYS 27 Cb 1.03 -1.50 0.42 0.00 0.02 0.00 0.00 35.03 35.01 1aab n LYS 27 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1aab n LYS 28 N -1.44 0.16 -2.69 1.64 4.81 -1.22 -4.39 118.16 115.03 1aab n LYS 28 Ca 0.01 0.10 -0.05 0.00 -0.87 0.00 0.00 58.31 57.50 1aab n LYS 28 Cb 0.04 -1.66 0.12 0.00 0.02 0.00 0.00 35.03 33.56 1aab n LYS 28 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1aab n LYS 29 N -1.92 1.26 -2.99 1.64 2.85 -0.58 -5.02 118.16 113.40 1aab n LYS 29 Ca 0.06 -1.64 -0.16 0.00 -1.05 0.00 0.00 58.31 55.52 1aab n LYS 29 Cb 0.39 0.10 -0.01 0.00 -0.65 0.00 0.00 35.03 34.86 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 -0.91 -1.69 0.10 5.58 8.25 -1.10 -4.97 115.22 120.47 1aab n HIS 30 Ca -0.08 -2.76 -0.04 0.00 -0.26 0.00 0.00 57.72 54.58 1aab n HIS 30 Cb 0.86 0.53 0.02 0.00 1.12 0.00 0.00 29.99 32.52 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 3.90 0.00 -0.00 -0.41 0.13 -1.90 -3.21 132.00 130.51 1aab h PRO 31 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1aab h PRO 31 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1aab h PRO 31 CO 0.39 0.81 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.52 1aab h ASP 32 N 0.00 0.02 -0.96 1.44 3.32 -2.01 -3.26 116.42 114.97 1aab h ASP 32 Ca -0.01 -0.67 0.12 0.00 0.02 0.00 0.00 57.03 56.49 1aab h ASP 32 Cb 1.45 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.91 1aab h ASP 32 CO 0.11 0.69 0.59 0.00 -1.72 0.00 0.00 179.24 178.90 1aab h ALA 33 N 0.33 1.44 0.00 3.45 0.00 -1.98 -3.44 119.26 119.06 1aab h ALA 33 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1aab h ALA 33 Cb 0.69 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1aab h ALA 33 CO 0.00 0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.87 1aab n SER 34 N -4.65 -2.21 -3.18 0.00 7.64 -1.21 -3.71 113.62 106.29 1aab n SER 34 Ca 0.18 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.87 1aab n SER 34 Cb 0.34 -2.54 0.02 0.00 -1.01 0.00 0.00 64.21 61.02 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 -1.64 -6.37 1.85 0.44 0.31 -1.26 -4.82 118.33 106.84 1aab n VAL 35 Ca 0.00 0.60 0.01 0.00 -0.01 0.00 0.00 64.34 64.94 1aab n VAL 35 Cb 0.18 -4.81 0.02 0.00 -0.91 0.00 0.00 33.84 28.33 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 0.21 0.26 -4.06 4.52 3.02 -1.24 -4.85 115.26 113.13 1aab n ASN 36 Ca -0.01 -2.00 -0.33 0.00 -0.03 0.00 0.00 54.58 52.22 1aab n ASN 36 Cb 0.50 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.36 -2.06 -1.88 3.10 3.72 -1.26 -4.65 117.46 114.06 1aab n PHE 37 Ca 0.02 0.86 0.00 0.00 -0.05 0.00 0.00 57.45 58.28 1aab n PHE 37 Cb 0.04 -3.52 0.00 0.00 -0.94 0.00 0.00 39.48 35.06 1aab n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1aab n SER 38 N -2.75 0.00 0.00 4.37 3.41 -1.26 -4.89 113.62 112.50 1aab n SER 38 Ca 0.06 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1aab n SER 38 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aab n GLU 39 N 0.00 2.16 0.03 4.33 1.02 -1.26 -4.84 120.64 122.07 1aab n GLU 39 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1aab n GLU 39 Cb 0.37 -0.31 -0.01 0.00 -0.02 0.00 0.00 31.44 31.47 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 -0.15 -0.66 -0.32 3.57 -1.92 -3.14 116.94 114.31 1aab h PHE 40 Ca 0.00 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1aab h PHE 40 Cb 0.00 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1aab h PHE 40 CO 0.00 -0.10 0.47 0.66 -2.23 0.00 0.00 178.31 177.11 1aab h SER 41 N -0.93 0.11 -0.09 0.41 4.64 -1.92 0.94 113.55 116.71 1aab h SER 41 Ca -0.02 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1aab h SER 41 Cb 0.13 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1aab h SER 41 CO 0.03 0.05 0.04 0.11 -0.87 0.00 0.00 176.83 176.20 1aab h LYS 42 N 0.12 0.17 0.00 4.77 1.79 -1.89 0.17 116.57 121.70 1aab h LYS 42 Ca 0.32 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1aab h LYS 42 Cb 1.10 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1aab h LYS 42 CO -0.04 0.15 -0.00 -0.22 -1.08 0.00 0.00 179.45 178.26 1aab h LYS 43 N 0.17 -0.00 -0.18 3.15 3.64 0.87 -3.09 116.57 121.14 1aab h LYS 43 Ca 0.04 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1aab h LYS 43 Cb 0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1aab h LYS 43 CO -0.00 0.88 0.13 0.00 -2.27 0.00 0.00 179.45 178.18 1aab h SER 45 N 0.04 0.07 0.37 0.00 0.87 -0.74 0.12 113.55 114.28 1aab h SER 45 Ca 0.08 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1aab h SER 45 Cb 0.28 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1aab h SER 45 CO -0.00 0.18 0.00 -0.08 -0.53 0.00 0.00 176.83 176.40 1aab h GLU 46 N -0.05 0.00 0.00 2.24 4.81 -1.10 0.21 114.58 120.69 1aab h GLU 46 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1aab h GLU 46 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1aab h GLU 46 CO -0.00 0.00 -0.60 -2.13 -0.73 0.00 0.00 179.01 175.55 1aab n ARG 47 N -2.87 0.16 -0.06 1.92 0.63 -0.30 -3.90 116.66 112.23 1aab n ARG 47 Ca -0.01 0.04 -0.07 0.00 -0.92 0.00 0.00 57.85 56.88 1aab n ARG 47 Cb 0.15 -1.59 -0.02 0.00 0.45 0.00 0.00 32.46 31.44 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 -1.83 0.00 -0.01 -0.14 -0.00 0.26 -4.41 117.44 111.31 1aab n TRP 48 Ca 0.04 0.00 0.22 0.00 -0.00 0.00 0.00 57.50 57.76 1aab n TRP 48 Cb 0.39 -0.41 0.55 0.00 -0.00 0.00 0.00 31.31 31.84 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 -0.82 0.00 -0.23 5.87 1.57 -0.91 0.33 116.57 122.38 1aab h LYS 49 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1aab h LYS 49 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1aab h LYS 49 CO 0.00 0.00 -0.40 0.00 -0.57 0.00 0.00 179.45 178.48 1aab h THR 50 N 0.00 1.31 -2.74 -0.16 1.03 -1.76 -3.45 112.91 107.14 1aab h THR 50 Ca 0.30 -1.61 -0.34 0.00 -0.01 0.00 0.00 66.41 64.75 1aab h THR 50 Cb 1.98 1.77 0.20 0.00 -1.07 0.00 0.00 68.15 71.03 1aab h THR 50 CO -0.00 0.51 -0.19 0.23 -0.01 0.00 0.00 175.52 176.05 1aab n MET 51 N -4.21 -4.07 -3.98 0.00 2.81 0.11 -5.04 117.12 102.74 1aab n MET 51 Ca -0.05 -1.20 -0.23 0.00 -1.81 0.00 0.00 57.70 54.41 1aab n MET 51 Cb 0.54 -1.85 -0.05 0.00 -0.71 0.00 0.00 33.22 31.14 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 -2.76 4.83 0.62 7.83 0.01 -1.26 -4.95 113.70 118.03 1aab s SER 52 Ca 0.61 -0.74 0.28 0.00 1.31 0.00 0.00 55.95 57.41 1aab s SER 52 Cb -0.12 -0.74 1.48 0.00 0.21 0.00 0.00 66.02 66.85 1aab s SER 52 CO 0.53 -0.37 1.87 0.00 0.41 0.00 0.00 173.24 175.67 1aab h ALA 53 N 1.41 1.83 0.92 1.44 0.00 -1.96 -0.44 119.26 122.47 1aab h ALA 53 Ca -0.44 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1aab h ALA 53 Cb 1.25 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1aab h ALA 53 CO 0.62 -0.58 -0.46 0.87 0.00 0.00 0.00 179.25 179.70 1aab h LYS 54 N 0.00 -1.21 -0.34 0.00 1.57 -1.98 0.97 116.57 115.58 1aab h LYS 54 Ca 0.12 0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 1aab h LYS 54 Cb 1.01 0.28 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 1aab h LYS 54 CO -0.00 -0.81 -0.44 0.93 -0.57 0.00 0.00 179.45 178.56 1aab h GLU 55 N -1.26 0.89 0.00 3.15 5.08 -1.73 -1.95 114.58 118.76 1aab h GLU 55 Ca -0.13 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1aab h GLU 55 Cb 0.97 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1aab h GLU 55 CO 0.20 1.15 0.00 1.63 -1.00 0.00 0.00 179.01 180.98 1aab n LYS 56 N -4.04 0.21 0.13 2.33 5.02 -0.26 -2.10 118.16 119.45 1aab n LYS 56 Ca -0.03 0.14 -0.23 0.00 -2.02 0.00 0.00 58.31 56.17 1aab n LYS 56 Cb 0.57 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.93 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 2.83 0.53 2.00 0.72 0.00 0.18 -2.14 103.07 107.19 1aab h GLY 57 Ca 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 47.33 45.92 1aab h GLY 57 CO 0.00 1.20 -0.23 1.70 0.00 0.00 0.00 176.54 179.21 1aab h LYS 58 N 0.13 0.00 0.00 4.80 3.11 -1.35 -2.40 116.57 120.86 1aab h LYS 58 Ca -0.25 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.52 1aab h LYS 58 Cb 2.13 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.34 1aab h LYS 58 CO 0.25 0.23 -0.67 0.74 -2.81 0.00 0.00 179.45 177.19 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.53 -2.92 116.94 114.43 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 0.85 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1aab h PHE 59 CO 0.00 0.29 -0.19 0.93 -0.60 0.00 0.00 178.31 178.75 1aab h GLU 60 N 0.00 0.00 0.04 1.51 4.39 -0.95 -2.64 114.58 116.93 1aab h GLU 60 Ca -0.04 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.44 1aab h GLU 60 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1aab h GLU 60 CO 0.03 0.19 -1.03 0.22 -1.16 0.00 0.00 179.01 177.25 1aab h ASP 61 N 0.00 0.19 -0.04 1.42 3.58 -1.26 -2.51 116.42 117.80 1aab h ASP 61 Ca -0.00 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.23 1aab h ASP 61 Cb 1.01 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1aab h ASP 61 CO 0.02 1.10 -0.09 0.24 -2.88 0.00 0.00 179.24 177.63 1aab h MET 62 N 0.05 0.12 0.00 0.28 2.86 -1.41 -0.49 114.93 116.34 1aab h MET 62 Ca -0.06 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1aab h MET 62 Cb 1.75 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.42 1aab h MET 62 CO 0.15 0.69 -0.02 0.00 1.06 0.00 0.00 176.91 178.79 1aab h ALA 63 N 0.44 1.69 -0.00 6.32 0.00 -1.55 0.17 119.26 126.32 1aab h ALA 63 Ca -0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1aab h ALA 63 Cb 0.69 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1aab h ALA 63 CO 0.02 0.02 -0.87 -0.22 0.00 0.00 0.00 179.25 178.20 1aab h LYS 64 N 0.00 0.25 0.00 0.00 3.64 -1.21 -0.14 116.57 119.11 1aab h LYS 64 Ca -0.00 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 58.98 1aab h LYS 64 Cb 0.04 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1aab h LYS 64 CO 0.00 0.97 -0.67 0.00 -2.27 0.00 0.00 179.45 177.48 1aab h ALA 65 N 0.94 0.86 0.05 5.00 0.00 0.79 -2.93 119.26 123.96 1aab h ALA 65 Ca -0.05 -0.61 -0.26 0.00 0.00 0.00 0.00 54.91 53.99 1aab h ALA 65 Cb 1.49 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1aab h ALA 65 CO 0.14 0.84 -1.08 0.22 0.00 0.00 0.00 179.25 179.37 1aab h ASP 66 N 0.00 0.69 -0.38 0.00 1.82 -0.66 -2.36 116.42 115.53 1aab h ASP 66 Ca -0.01 -0.59 0.11 0.00 -0.39 0.00 0.00 57.03 56.15 1aab h ASP 66 Cb 1.21 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 41.00 1aab h ASP 66 CO 0.09 1.40 0.27 0.50 -1.61 0.00 0.00 179.24 179.89 1aab h LYS 67 N 0.26 0.00 0.11 0.28 3.64 -0.86 0.23 116.57 120.23 1aab h LYS 67 Ca -0.12 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.12 1aab h LYS 67 Cb 1.74 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.57 1aab h LYS 67 CO 0.20 0.00 -0.61 0.00 -2.27 0.00 0.00 179.45 176.77 1aab h ALA 68 N 1.81 -0.07 0.00 5.00 0.00 -1.34 -3.09 119.26 121.57 1aab h ALA 68 Ca 0.18 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1aab h ALA 68 Cb 0.72 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1aab h ALA 68 CO -0.00 0.28 -0.06 0.07 0.00 0.00 0.00 179.25 179.54 1aab h ARG 69 N -0.52 0.00 -0.03 0.00 0.11 -0.77 -2.06 114.38 111.10 1aab h ARG 69 Ca -0.11 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 1aab h ARG 69 Cb 1.48 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.56 1aab h ARG 69 CO 0.12 0.06 -0.05 -0.92 0.10 0.00 0.00 179.97 179.28 1aab h TYR 70 N 0.00 0.11 -0.15 4.08 5.03 -0.60 -2.87 116.97 122.56 1aab h TYR 70 Ca -0.00 -0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.24 1aab h TYR 70 Cb 0.24 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 1aab h TYR 70 CO 0.00 0.60 -0.05 0.93 -1.32 0.00 0.00 178.16 178.32 1aab h GLU 71 N -0.41 0.23 -0.12 1.82 4.39 -1.37 -2.10 114.58 117.01 1aab h GLU 71 Ca 0.00 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1aab h GLU 71 Cb 0.59 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1aab h GLU 71 CO 0.01 0.30 0.04 -0.09 -1.16 0.00 0.00 179.01 178.11 1aab h ARG 72 N 0.22 0.10 0.00 2.33 9.65 -1.29 -1.80 114.38 123.60 1aab h ARG 72 Ca 0.05 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1aab h ARG 72 Cb 0.25 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1aab h ARG 72 CO 0.01 0.07 0.00 0.39 2.80 0.00 0.00 179.97 183.24 1aab n GLU 73 N -5.06 0.52 0.08 0.20 1.02 -1.03 -3.39 120.64 112.98 1aab n GLU 73 Ca -0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.01 1aab n GLU 73 Cb 0.05 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 1aab n GLU 73 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1aab h MET 74 N 0.00 0.11 0.00 3.49 4.05 -0.65 -3.10 114.93 118.83 1aab h MET 74 Ca 0.00 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1aab h MET 74 Cb 0.23 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1aab h MET 74 CO 0.00 0.99 0.00 1.63 0.23 0.00 0.00 176.91 179.76 1aab n LYS 75 N -3.52 0.09 -0.11 0.39 5.02 -1.17 -2.43 118.16 116.42 1aab n LYS 75 Ca -0.03 0.24 -0.14 0.00 -2.02 0.00 0.00 58.31 56.36 1aab n LYS 75 Cb 0.88 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.25 1aab n LYS 75 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1aab n THR 76 N -1.31 1.43 0.00 -0.18 -2.24 -1.17 -4.87 114.28 105.94 1aab n THR 76 Ca 0.03 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1aab n THR 76 Cb 0.06 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 -3.00 0.00 -2.94 4.78 9.36 -1.02 -4.99 117.16 119.36 1aab n TYR 77 Ca -0.39 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 60.81 1aab n TYR 77 Cb 1.07 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.77 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 -4.02 -0.69 2.97 5.41 -1.25 -4.93 119.36 116.84 1aab n ILE 78 Ca 0.00 0.72 -0.28 0.00 1.00 0.00 0.00 62.75 64.18 1aab n ILE 78 Cb 0.00 -3.51 0.23 0.00 -0.71 0.00 0.00 39.64 35.65 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 -0.17 -0.57 0.00 0.38 0.02 -1.26 -5.00 135.00 128.40 1aab s PRO 79 Ca -0.07 0.80 0.00 0.00 0.02 0.00 0.00 61.00 61.74 1aab s PRO 79 Cb 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 34.50 32.93 1aab s PRO 79 CO 0.20 -3.48 0.00 -0.35 -0.33 0.00 0.00 177.00 173.04 1aab n PRO 80 N -4.74 0.31 -1.66 5.54 -0.04 -1.26 -3.94 135.00 129.21 1aab n PRO 80 Ca 0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.42 1aab n PRO 80 Cb 0.55 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.49 -1.65 -0.25 0.54 5.02 -1.26 -4.76 118.16 115.31 1aab n LYS 81 Ca 0.00 0.41 -0.04 0.00 -2.02 0.00 0.00 58.31 56.66 1aab n LYS 81 Cb 0.00 -4.70 0.11 0.00 -0.02 0.00 0.00 35.03 30.43 1aab n LYS 81 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1aab h GLY 82 N 0.00 1.18 0.00 0.72 0.00 -1.95 -3.56 103.07 99.46 1aab h GLY 82 Ca -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1aab h GLY 82 CO 0.22 0.59 0.00 -2.21 0.00 0.00 0.00 176.54 175.14