#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 0.86 0.00 1.61 5.02 -1.26 -4.06 118.16 120.34 1aab n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1aab n LYS 2 Cb 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.57 -0.06 3.65 0.72 0.00 -1.26 -4.88 105.19 103.93 1aab n GLY 3 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.30 -5.49 -4.55 1.61 8.00 -1.26 -4.77 116.55 109.78 1aab n ASP 4 Ca 0.00 -0.92 -0.34 0.00 0.71 0.00 0.00 54.79 54.24 1aab n ASP 4 Cb 0.09 -3.24 -0.04 0.00 -0.02 0.00 0.00 41.12 37.91 1aab n ASP 4 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1aab s PRO 5 N -5.57 2.27 -0.88 -0.24 0.04 -1.26 -3.37 135.00 125.99 1aab s PRO 5 Ca 0.35 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1aab s PRO 5 Cb -0.13 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.84 1aab s PRO 5 CO 0.86 -3.21 0.00 1.63 0.04 0.00 0.00 177.00 176.33 1aab n LYS 6 N 9.05 -1.24 -1.36 4.56 5.02 -1.26 -4.88 118.16 128.04 1aab n LYS 6 Ca 0.32 0.49 -0.35 0.00 -2.02 0.00 0.00 58.31 56.75 1aab n LYS 6 Cb 0.52 -4.67 0.10 0.00 -0.02 0.00 0.00 35.03 30.97 1aab n LYS 6 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1aab n LYS 7 N -1.61 0.56 -0.88 1.97 5.02 -1.22 -4.91 118.16 117.10 1aab n LYS 7 Ca -0.08 0.26 -0.34 0.00 -2.02 0.00 0.00 58.31 56.12 1aab n LYS 7 Cb 0.29 -2.43 0.09 0.00 -0.02 0.00 0.00 35.03 32.96 1aab n LYS 7 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1aab n PRO 8 N -2.56 -0.18 0.00 1.97 -0.02 -1.26 -4.71 135.00 128.24 1aab n PRO 8 Ca 0.14 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1aab n PRO 8 Cb 0.49 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.38 0.00 -1.61 -0.52 0.63 -1.26 -4.84 116.66 108.68 1aab n ARG 9 Ca 0.04 0.10 -0.01 0.00 -0.92 0.00 0.00 57.85 57.07 1aab n ARG 9 Cb 0.54 -1.52 -0.01 0.00 0.45 0.00 0.00 32.46 31.92 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 -1.04 -3.77 3.63 5.14 0.00 -1.26 -4.79 105.19 103.10 1aab n GLY 10 Ca 0.00 -0.07 -0.56 0.00 0.00 0.00 0.00 46.02 45.39 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 0.58 1.15 -1.97 1.61 -0.00 -1.26 -4.90 118.16 113.37 1aab n LYS 11 Ca -0.06 0.40 -0.33 0.00 -0.00 0.00 0.00 58.31 58.32 1aab n LYS 11 Cb 0.09 -2.18 0.02 0.00 -0.00 0.00 0.00 35.03 32.96 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 4.27 3.13 1.01 -1.58 -1.94 -1.26 -5.00 119.30 117.93 1aab s MET 12 Ca 1.02 1.33 -0.17 0.00 -1.71 0.00 0.00 55.69 56.15 1aab s MET 12 Cb -1.03 -2.00 0.24 0.00 2.01 0.00 0.00 34.83 34.05 1aab s MET 12 CO 0.62 -0.98 1.27 -1.13 -0.01 0.00 0.00 175.02 174.79 1aab n SER 13 N -2.07 -0.30 0.12 3.03 3.41 -1.26 -4.68 113.62 111.87 1aab n SER 13 Ca 0.10 -1.42 -0.02 0.00 -0.26 0.00 0.00 58.87 57.27 1aab n SER 13 Cb 0.52 -1.00 0.21 0.00 -0.26 0.00 0.00 64.21 63.68 1aab n SER 13 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1aab h SER 14 N -1.91 0.16 0.08 4.04 0.87 -1.92 -1.90 113.55 112.96 1aab h SER 14 Ca -0.42 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1aab h SER 14 Cb 1.18 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1aab h SER 14 CO 0.29 0.62 -0.04 0.22 -0.53 0.00 0.00 176.83 177.40 1aab h TYR 15 N 0.12 -0.10 -0.41 2.24 3.20 -1.92 -2.82 116.97 117.27 1aab h TYR 15 Ca 0.00 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.99 1aab h TYR 15 Cb 0.91 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1aab h TYR 15 CO 0.01 0.44 0.36 0.00 -1.64 0.00 0.00 178.16 177.33 1aab h ALA 16 N -0.01 2.22 -0.11 1.82 0.00 -1.91 0.47 119.26 121.74 1aab h ALA 16 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1aab h ALA 16 Cb 0.59 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1aab h ALA 16 CO 0.02 -0.57 -0.53 0.74 0.00 0.00 0.00 179.25 178.91 1aab h PHE 17 N 0.00 0.40 0.00 0.00 -1.00 -1.19 -1.82 116.94 113.33 1aab h PHE 17 Ca 0.19 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1aab h PHE 17 Cb 0.91 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.39 1aab h PHE 17 CO 0.00 0.78 0.00 0.35 -1.61 0.00 0.00 178.31 177.83 1aab h PHE 18 N 0.25 0.00 0.06 -0.55 3.04 0.13 -2.99 116.94 116.88 1aab h PHE 18 Ca 0.01 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.86 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 0.03 0.00 -0.44 0.28 -2.02 0.00 0.00 178.31 176.15 1aab h VAL 19 N 0.00 1.61 0.00 1.41 2.07 -0.39 -0.92 116.25 120.04 1aab h VAL 19 Ca 0.00 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 1aab h VAL 19 Cb 0.74 3.24 -0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1aab h VAL 19 CO 0.00 0.65 -0.02 0.06 0.02 0.00 0.00 177.57 178.27 1aab h GLN 20 N -0.72 0.00 0.06 1.57 3.07 -1.42 0.91 115.11 118.59 1aab h GLN 20 Ca -0.09 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.42 1aab h GLN 20 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.86 1aab h GLN 20 CO 0.06 0.02 -1.07 1.15 0.09 0.00 0.00 178.83 179.07 1aab h THR 21 N 0.00 1.55 0.00 1.86 2.02 -1.48 -2.82 112.91 114.04 1aab h THR 21 Ca -0.00 -3.02 0.00 0.00 0.77 0.00 0.00 66.41 64.16 1aab h THR 21 Cb 0.07 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1aab h THR 21 CO 0.00 0.88 -0.36 0.28 0.37 0.00 0.00 175.52 176.69 1aab h SER 22 N 0.07 0.00 0.27 4.18 0.02 0.86 -3.26 113.55 115.70 1aab h SER 22 Ca -0.08 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1aab h SER 22 Cb 1.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.32 1aab h SER 22 CO 0.16 0.01 -0.13 -0.09 -1.14 0.00 0.00 176.83 175.65 1aab h ARG 23 N 0.00 -0.35 -0.08 3.45 2.43 0.72 0.15 114.38 120.70 1aab h ARG 23 Ca 0.00 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1aab h ARG 23 Cb 0.93 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1aab h ARG 23 CO 0.00 -0.08 0.19 0.93 -1.51 0.00 0.00 179.97 179.50 1aab h GLU 24 N -1.02 0.00 0.00 0.20 5.08 -1.63 0.29 114.58 117.49 1aab h GLU 24 Ca -0.04 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1aab h GLU 24 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1aab h GLU 24 CO 0.06 0.00 -1.28 0.93 -1.00 0.00 0.00 179.01 177.72 1aab h GLU 25 N 0.00 0.00 0.12 2.33 4.39 -1.57 -3.36 114.58 116.50 1aab h GLU 25 Ca 0.04 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.46 1aab h GLU 25 Cb 0.41 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1aab h GLU 25 CO -0.00 0.35 -1.23 1.25 -1.16 0.00 0.00 179.01 178.23 1aab h HIS 26 N 0.00 0.75 -0.09 4.33 -0.00 0.24 -3.20 115.15 117.19 1aab h HIS 26 Ca -0.14 -0.50 0.03 0.00 -0.00 0.00 0.00 60.37 59.76 1aab h HIS 26 Cb 1.58 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.94 1aab h HIS 26 CO 0.00 1.36 0.08 0.87 -0.00 0.00 0.00 177.93 180.24 1aab h LYS 27 N 0.17 0.00 0.00 5.26 1.57 -1.28 0.35 116.57 122.64 1aab h LYS 27 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1aab h LYS 27 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.23 1aab h LYS 27 CO 0.22 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.73 1aab n LYS 28 N -4.01 0.55 0.00 3.15 4.76 -1.21 -2.83 118.16 118.58 1aab n LYS 28 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1aab n LYS 28 Cb 0.19 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1aab n LYS 28 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1aab n LYS 29 N -0.76 0.00 -3.24 1.97 4.81 -0.01 -4.98 118.16 115.95 1aab n LYS 29 Ca 0.07 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.27 1aab n LYS 29 Cb 0.03 -0.15 -0.07 0.00 0.02 0.00 0.00 35.03 34.87 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 1.18 -1.69 5.64 8.25 0.10 -5.03 115.22 123.67 1aab n HIS 30 Ca 0.00 -3.80 -0.25 0.00 -0.26 0.00 0.00 57.72 53.42 1aab n HIS 30 Cb 0.19 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 30.82 1aab n HIS 30 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1aab s PRO 31 N -1.89 2.00 -1.46 -0.41 0.04 -1.25 -2.76 135.00 129.27 1aab s PRO 31 Ca 0.38 0.64 -0.09 0.00 0.04 0.00 0.00 61.00 61.97 1aab s PRO 31 Cb 0.20 -4.73 0.04 0.00 0.04 0.00 0.00 34.50 30.05 1aab s PRO 31 CO -0.08 -3.77 0.87 -3.47 0.04 0.00 0.00 177.00 170.59 1aab n ASP 32 N 16.53 -5.49 0.00 6.66 -0.08 -1.26 -4.91 116.55 127.99 1aab n ASP 32 Ca 0.40 -0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1aab n ASP 32 Cb 0.48 -4.39 0.00 0.00 2.34 0.00 0.00 41.12 39.55 1aab n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aab n ALA 33 N -4.32 -0.16 -2.11 -1.67 0.00 -1.11 -4.70 120.51 106.45 1aab n ALA 33 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 1aab n ALA 33 Cb 0.56 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 1aab n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1aab n SER 34 N -1.20 -0.26 -4.69 0.00 7.64 -1.26 -5.10 113.62 108.75 1aab n SER 34 Ca 0.00 -1.78 -0.42 0.00 1.01 0.00 0.00 58.87 57.68 1aab n SER 34 Cb 0.00 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1aab n SER 34 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1aab s VAL 35 N 0.00 3.23 0.00 0.44 1.01 -1.26 -4.61 120.40 119.21 1aab s VAL 35 Ca 0.07 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1aab s VAL 35 Cb 0.08 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1aab s VAL 35 CO -0.04 0.00 0.61 0.59 0.00 0.00 0.00 175.10 176.26 1aab n ASN 36 N 5.35 0.00 -3.62 3.32 3.02 -1.26 -4.99 115.26 117.08 1aab n ASN 36 Ca 0.15 -1.26 -0.27 0.00 -0.03 0.00 0.00 54.58 53.16 1aab n ASN 36 Cb 0.41 -0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.00 -1.89 -1.80 3.10 3.01 -1.26 -4.62 117.46 114.00 1aab n PHE 37 Ca 0.00 0.62 0.00 0.00 1.01 0.00 0.00 57.45 59.08 1aab n PHE 37 Cb 0.55 -3.20 0.00 0.00 -0.01 0.00 0.00 39.48 36.82 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1aab n SER 38 N -2.47 0.00 0.00 4.37 2.88 -1.26 -4.89 113.62 112.26 1aab n SER 38 Ca 0.01 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.55 1aab n SER 38 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 1.92 -0.05 -1.46 1.02 -1.26 -4.86 120.64 115.95 1aab n GLU 39 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1aab n GLU 39 Cb 0.32 -0.28 -0.01 0.00 -0.02 0.00 0.00 31.44 31.45 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 -0.51 -0.32 3.57 -1.90 -3.31 116.94 114.47 1aab h PHE 40 Ca 0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 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 0.06 0.44 0.77 -2.23 0.00 0.00 178.31 177.35 1aab h SER 41 N -1.00 0.00 -0.16 0.41 0.02 -1.92 0.88 113.55 111.77 1aab h SER 41 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1aab h SER 41 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1aab h SER 41 CO -0.00 0.00 0.10 0.50 -1.14 0.00 0.00 176.83 176.29 1aab h LYS 42 N 0.00 0.22 0.01 3.45 1.63 -1.89 0.14 116.57 120.12 1aab h LYS 42 Ca 0.24 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1aab h LYS 42 Cb 1.13 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1aab h LYS 42 CO -0.00 0.16 -0.04 -0.22 -3.45 0.00 0.00 179.45 175.90 1aab h LYS 43 N 0.23 0.01 -0.32 1.90 1.63 0.66 -3.15 116.57 117.54 1aab h LYS 43 Ca 0.06 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1aab h LYS 43 Cb -0.01 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1aab h LYS 43 CO -0.01 0.98 0.21 0.00 -3.45 0.00 0.00 179.45 177.18 1aab h SER 45 N 0.25 0.28 0.33 0.00 0.87 -0.79 0.32 113.55 114.80 1aab h SER 45 Ca 0.13 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1aab h SER 45 Cb 0.22 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1aab h SER 45 CO -0.03 0.22 0.00 1.21 -0.53 0.00 0.00 176.83 177.71 1aab n GLU 46 N -4.91 0.04 -0.00 2.24 2.13 -0.35 -0.87 120.64 118.93 1aab n GLU 46 Ca -0.03 0.28 0.09 0.00 0.66 0.00 0.00 57.16 58.16 1aab n GLU 46 Cb 0.04 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.14 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 -1.44 0.96 -0.06 5.31 0.63 0.38 -4.40 116.66 118.03 1aab n ARG 47 Ca 0.03 -0.03 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1aab n ARG 47 Cb 0.12 -1.37 -0.03 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 -1.55 0.00 0.23 -0.14 -0.00 0.84 -4.41 117.44 112.40 1aab n TRP 48 Ca 0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.60 1aab n TRP 48 Cb 0.32 -0.44 0.41 0.00 -0.00 0.00 0.00 31.31 31.60 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 -0.75 0.00 0.19 5.87 1.57 -1.25 0.23 116.57 122.43 1aab h LYS 49 Ca -0.08 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.39 1aab h LYS 49 Cb 0.87 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.20 1aab h LYS 49 CO -0.05 0.00 -1.36 0.00 -0.57 0.00 0.00 179.45 177.47 1aab h THR 50 N 0.00 1.38 -2.62 -0.16 1.03 -1.77 -3.46 112.91 107.30 1aab h THR 50 Ca 0.00 -2.84 -0.30 0.00 -0.01 0.00 0.00 66.41 63.25 1aab h THR 50 Cb 0.87 2.98 0.18 0.00 -1.07 0.00 0.00 68.15 71.11 1aab h THR 50 CO 0.00 0.84 -0.13 0.23 -0.01 0.00 0.00 175.52 176.46 1aab n MET 51 N -3.64 -4.29 -4.21 0.00 2.81 0.81 -5.04 117.12 103.56 1aab n MET 51 Ca -0.13 -1.22 -0.24 0.00 -1.81 0.00 0.00 57.70 54.29 1aab n MET 51 Cb 1.06 -1.55 -0.07 0.00 -0.71 0.00 0.00 33.22 31.95 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 -2.99 4.87 0.62 7.83 0.01 -1.26 -4.97 113.70 117.82 1aab s SER 52 Ca 0.56 -0.45 0.25 0.00 1.31 0.00 0.00 55.95 57.62 1aab s SER 52 Cb -0.09 -1.05 1.22 0.00 0.21 0.00 0.00 66.02 66.30 1aab s SER 52 CO 0.46 0.03 1.67 0.00 0.41 0.00 0.00 173.24 175.81 1aab h ALA 53 N 2.14 2.10 0.47 1.44 0.00 -1.96 0.96 119.26 124.40 1aab h ALA 53 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1aab h ALA 53 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1aab h ALA 53 CO 0.60 -0.86 -0.22 0.87 0.00 0.00 0.00 179.25 179.63 1aab h LYS 54 N 0.00 -0.61 -0.07 0.00 1.57 -1.97 0.90 116.57 116.39 1aab h LYS 54 Ca 0.19 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1aab h LYS 54 Cb 1.51 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 1aab h LYS 54 CO -0.00 -0.40 -0.06 0.93 -0.57 0.00 0.00 179.45 179.35 1aab h GLU 55 N -0.63 0.17 0.00 3.15 4.39 -1.25 -2.06 114.58 118.35 1aab h GLU 55 Ca -0.06 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1aab h GLU 55 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1aab h GLU 55 CO 0.11 0.59 0.00 1.63 -1.16 0.00 0.00 179.01 180.17 1aab n LYS 56 N -4.73 0.24 0.13 2.33 5.02 -0.64 -1.82 118.16 118.69 1aab n LYS 56 Ca -0.07 0.12 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 1aab n LYS 56 Cb 0.29 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.64 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 1.94 0.58 2.00 0.72 0.00 0.16 -1.97 103.07 106.49 1aab h GLY 57 Ca 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 47.33 45.82 1aab h GLY 57 CO 0.00 1.28 -0.22 1.70 0.00 0.00 0.00 176.54 179.31 1aab h LYS 58 N 0.05 0.00 0.00 4.80 3.11 -1.26 -2.34 116.57 120.93 1aab h LYS 58 Ca -0.24 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.47 1aab h LYS 58 Cb 2.07 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.28 1aab h LYS 58 CO 0.25 0.22 -0.74 0.74 -2.81 0.00 0.00 179.45 177.11 1aab h PHE 59 N 0.00 0.00 0.00 1.91 0.04 -1.55 -2.80 116.94 114.54 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 0.81 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1aab h PHE 59 CO 0.00 0.58 -0.28 0.93 -0.60 0.00 0.00 178.31 178.94 1aab h GLU 60 N 0.00 0.00 0.02 1.51 4.39 -0.84 -0.98 114.58 118.68 1aab h GLU 60 Ca -0.04 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 1aab h GLU 60 Cb 1.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.11 1aab h GLU 60 CO 0.07 0.28 -0.94 0.22 -1.16 0.00 0.00 179.01 177.48 1aab h ASP 61 N 0.00 0.23 0.01 1.42 3.58 -1.20 -1.97 116.42 118.49 1aab h ASP 61 Ca -0.00 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 1aab h ASP 61 Cb 0.86 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1aab h ASP 61 CO 0.04 1.04 -0.00 0.24 -2.88 0.00 0.00 179.24 177.67 1aab h MET 62 N 0.08 -0.01 -0.23 0.28 2.86 -1.24 -1.57 114.93 115.10 1aab h MET 62 Ca -0.05 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1aab h MET 62 Cb 1.59 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 1aab h MET 62 CO 0.14 0.68 0.18 0.00 1.06 0.00 0.00 176.91 178.97 1aab h ALA 63 N 0.27 2.13 -0.02 6.32 0.00 -1.26 0.37 119.26 127.07 1aab h ALA 63 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1aab h ALA 63 Cb 0.69 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1aab h ALA 63 CO 0.00 -0.30 -0.73 -0.22 0.00 0.00 0.00 179.25 178.00 1aab h LYS 64 N 0.00 0.16 -0.16 0.00 3.64 -1.21 -1.81 116.57 117.18 1aab h LYS 64 Ca 0.11 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1aab h LYS 64 Cb 0.47 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1aab h LYS 64 CO -0.00 0.81 -0.45 0.00 -2.27 0.00 0.00 179.45 177.54 1aab h ALA 65 N 1.15 0.93 0.00 5.00 0.00 0.69 -2.06 119.26 124.97 1aab h ALA 65 Ca -0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1aab h ALA 65 Cb 1.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1aab h ALA 65 CO 0.11 0.64 -0.47 0.22 0.00 0.00 0.00 179.25 179.75 1aab h ASP 66 N 0.32 0.00 -0.72 0.00 1.82 -0.88 -2.62 116.42 114.34 1aab h ASP 66 Ca 0.02 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1aab h ASP 66 Cb 0.92 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.89 1aab h ASP 66 CO 0.08 0.47 0.47 0.50 -1.61 0.00 0.00 179.24 179.15 1aab h LYS 67 N 0.00 0.90 -0.10 0.28 3.64 -0.59 -0.97 116.57 119.73 1aab h LYS 67 Ca -0.00 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 1aab h LYS 67 Cb 0.94 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1aab h LYS 67 CO 0.06 0.59 -0.59 0.00 -2.27 0.00 0.00 179.45 177.24 1aab h ALA 68 N 1.57 0.80 0.00 5.00 0.00 -1.37 -2.81 119.26 122.45 1aab h ALA 68 Ca 0.27 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1aab h ALA 68 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1aab h ALA 68 CO -0.07 0.72 -0.29 0.00 0.00 0.00 0.00 179.25 179.60 1aab h ARG 69 N 0.24 0.00 -0.13 0.00 2.47 -1.09 -0.67 114.38 115.20 1aab h ARG 69 Ca -0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1aab h ARG 69 Cb 1.11 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1aab h ARG 69 CO 0.10 0.29 -0.18 -0.92 0.56 0.00 0.00 179.97 179.82 1aab h TYR 70 N 0.00 0.44 0.00 3.04 5.03 -1.01 -2.84 116.97 121.63 1aab h TYR 70 Ca -0.00 -0.14 -0.03 0.00 2.58 0.00 0.00 58.73 61.13 1aab h TYR 70 Cb 0.60 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.79 1aab h TYR 70 CO 0.00 0.79 -0.15 0.93 -1.32 0.00 0.00 178.16 178.42 1aab h GLU 71 N -0.04 0.00 0.00 1.82 5.08 -1.39 -3.03 114.58 117.02 1aab h GLU 71 Ca 0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1aab h GLU 71 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1aab h GLU 71 CO 0.04 0.15 -0.34 -0.09 -1.00 0.00 0.00 179.01 177.77 1aab h ARG 72 N 0.00 0.00 0.00 2.33 2.43 -1.06 -3.00 114.38 115.08 1aab h ARG 72 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1aab h ARG 72 Cb 0.91 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1aab h ARG 72 CO 0.02 0.34 -0.41 0.93 -1.51 0.00 0.00 179.97 179.33 1aab h GLU 73 N 0.00 0.00 0.00 0.20 5.08 -1.37 -3.24 114.58 115.25 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 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1aab h GLU 73 CO 0.04 0.18 0.00 -1.33 -1.00 0.00 0.00 179.01 176.90 1aab n MET 74 N -3.06 0.06 0.00 2.33 2.81 -1.13 -2.21 117.12 115.91 1aab n MET 74 Ca 0.02 0.11 0.02 0.00 -1.81 0.00 0.00 57.70 56.04 1aab n MET 74 Cb 0.62 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.74 1aab n MET 74 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1aab n LYS 75 N -1.12 0.72 0.00 0.03 3.00 -1.22 -3.28 118.16 116.28 1aab n LYS 75 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1aab n LYS 75 Cb 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1aab n THR 76 N -0.58 0.00 0.00 3.15 5.66 -0.94 -5.06 114.28 116.51 1aab n THR 76 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1aab n THR 76 Cb 0.01 0.04 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 -3.24 1.09 9.36 -1.21 -4.96 117.16 118.20 1aab n TYR 77 Ca 0.00 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.11 1aab n TYR 77 Cb 0.39 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.11 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 -3.33 -1.03 2.97 -0.00 -1.26 -4.94 119.36 111.76 1aab n ILE 78 Ca 0.00 0.47 -0.29 0.00 -0.00 0.00 0.00 62.75 62.94 1aab n ILE 78 Cb 0.00 -3.48 0.20 0.00 -0.00 0.00 0.00 39.64 36.36 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 -1.47 -0.09 0.00 0.38 0.05 -1.26 -5.05 135.00 127.56 1aab s PRO 79 Ca 0.11 0.49 0.00 0.00 0.05 0.00 0.00 61.00 61.66 1aab s PRO 79 Cb -0.01 -1.68 0.00 0.00 0.05 0.00 0.00 34.50 32.86 1aab s PRO 79 CO 0.31 -3.08 0.00 -0.35 0.05 0.00 0.00 177.00 173.93 1aab n PRO 80 N -4.41 1.00 -1.79 0.56 -0.04 -1.26 -4.78 135.00 124.28 1aab n PRO 80 Ca 0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.31 1aab n PRO 80 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.96 1aab n PRO 80 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1aab s LYS 81 N -0.00 1.88 0.00 0.54 -0.14 -1.26 -4.80 119.74 115.96 1aab s LYS 81 Ca 0.00 -0.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.35 1aab s LYS 81 Cb 0.00 -4.99 0.00 0.00 -1.68 0.00 0.00 37.83 31.16 1aab s LYS 81 CO 0.00 -4.40 0.13 0.41 -0.76 0.00 0.00 175.35 170.74 1aab n GLY 82 N 6.45 -0.07 0.00 -3.33 0.00 -1.26 -5.20 105.19 101.79 1aab n GLY 82 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11