#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 -1.65 -0.01 1.61 4.81 -1.26 -4.86 118.16 116.79 1aab n LYS 2 Ca 0.00 -0.45 0.11 0.00 -0.87 0.00 0.00 58.31 57.10 1aab n LYS 2 Cb 0.00 -2.10 0.58 0.00 0.02 0.00 0.00 35.03 33.52 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aab n GLY 3 N 1.07 -0.75 3.70 3.14 0.00 -1.26 -4.89 105.19 106.21 1aab n GLY 3 Ca 0.05 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1aab n GLY 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aab s ASP 4 N -1.65 3.57 -0.52 1.61 1.11 -1.26 -4.83 116.67 114.69 1aab s ASP 4 Ca 0.32 2.32 -0.26 0.00 0.18 0.00 0.00 52.55 55.10 1aab s ASP 4 Cb 0.15 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.51 1aab s ASP 4 CO 0.25 -2.68 2.14 -2.16 1.18 0.00 0.00 175.17 173.90 1aab s PRO 5 N -4.23 2.42 -1.44 8.23 0.04 -1.26 -3.72 135.00 135.04 1aab s PRO 5 Ca 0.72 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 1aab s PRO 5 Cb -0.27 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1aab s PRO 5 CO 0.51 -2.93 0.27 1.63 0.04 0.00 0.00 177.00 176.52 1aab n LYS 6 N 9.05 -1.86 -2.03 4.56 5.02 -1.26 -4.88 118.16 126.76 1aab n LYS 6 Ca 0.29 0.24 -0.41 0.00 -2.02 0.00 0.00 58.31 56.40 1aab n LYS 6 Cb 0.53 -3.90 -0.02 0.00 -0.02 0.00 0.00 35.03 31.61 1aab n LYS 6 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1aab s LYS 7 N -6.98 4.28 0.04 1.97 2.20 -1.24 -4.88 119.74 115.13 1aab s LYS 7 Ca 0.07 2.28 -0.37 0.00 -0.36 0.00 0.00 55.97 57.59 1aab s LYS 7 Cb -0.03 -3.11 -0.16 0.00 -1.51 0.00 0.00 37.83 33.02 1aab s LYS 7 CO 0.95 -0.38 1.44 -2.30 -0.36 0.00 0.00 175.35 174.69 1aab n PRO 8 N 2.10 1.29 0.00 4.03 -0.02 -1.26 -4.92 135.00 136.23 1aab n PRO 8 Ca 0.06 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1aab n PRO 8 Cb 0.41 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 3.11 0.00 0.00 -0.52 0.63 -1.26 -5.02 116.66 113.61 1aab n ARG 9 Ca 0.19 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 1aab n ARG 9 Cb 0.20 -1.15 0.00 0.00 0.45 0.00 0.00 32.46 31.96 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 0.82 1.41 3.57 5.14 0.00 -1.26 -5.11 105.19 109.76 1aab n GLY 10 Ca 0.00 0.45 -0.64 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -1.96 1.61 -0.00 -1.26 -4.92 118.16 111.63 1aab n LYS 11 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1aab n LYS 11 Cb 0.00 -1.44 0.05 0.00 -0.00 0.00 0.00 35.03 33.65 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 2.60 2.70 0.83 -1.58 -1.94 -1.26 -4.99 119.30 115.65 1aab s MET 12 Ca 0.99 0.33 -0.12 0.00 -1.71 0.00 0.00 55.69 55.18 1aab s MET 12 Cb -1.41 -2.04 0.11 0.00 2.01 0.00 0.00 34.83 33.49 1aab s MET 12 CO 0.76 -1.09 1.18 -1.54 -0.01 0.00 0.00 175.02 174.32 1aab s SER 13 N -4.39 4.21 0.30 3.03 1.04 -1.26 -4.70 113.70 111.91 1aab s SER 13 Ca 0.58 0.55 0.02 0.00 0.48 0.00 0.00 55.95 57.59 1aab s SER 13 Cb -0.11 -0.96 0.47 0.00 0.10 0.00 0.00 66.02 65.52 1aab s SER 13 CO 0.50 -2.06 1.79 0.77 0.98 0.00 0.00 173.24 175.23 1aab h SER 14 N -1.10 0.55 0.06 7.02 4.64 -1.92 -1.06 113.55 121.74 1aab h SER 14 Ca -0.45 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1aab h SER 14 Cb 1.30 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1aab h SER 14 CO 0.57 0.69 -0.03 0.22 -0.87 0.00 0.00 176.83 177.41 1aab h TYR 15 N 0.53 -0.07 -0.48 4.77 3.20 -1.93 -2.96 116.97 120.03 1aab h TYR 15 Ca 0.10 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.11 1aab h TYR 15 Cb 0.48 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1aab h TYR 15 CO 0.02 0.50 0.41 0.00 -1.64 0.00 0.00 178.16 177.44 1aab h ALA 16 N 0.12 2.32 -0.20 1.82 0.00 -1.90 0.43 119.26 121.84 1aab h ALA 16 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1aab h ALA 16 Cb 0.60 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1aab h ALA 16 CO 0.01 -0.65 -0.38 0.74 0.00 0.00 0.00 179.25 178.97 1aab h PHE 17 N 0.00 0.52 0.00 0.00 0.04 -1.03 -1.72 116.94 114.74 1aab h PHE 17 Ca 0.23 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1aab h PHE 17 Cb 1.04 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1aab h PHE 17 CO 0.00 0.76 0.00 0.35 -0.60 0.00 0.00 178.31 178.82 1aab h PHE 18 N 0.37 0.00 0.08 -0.55 3.04 -0.04 -2.97 116.94 116.86 1aab h PHE 18 Ca 0.04 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.84 1aab h PHE 18 Cb 0.84 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1aab h PHE 18 CO 0.03 0.00 -0.71 0.28 -2.02 0.00 0.00 178.31 175.88 1aab h VAL 19 N 0.00 1.45 0.00 1.41 2.07 -0.45 -1.44 116.25 119.30 1aab h VAL 19 Ca 0.00 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.09 1aab h VAL 19 Cb 0.66 3.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.51 1aab h VAL 19 CO 0.00 0.64 -0.04 0.06 0.02 0.00 0.00 177.57 178.25 1aab h GLN 20 N -0.62 0.00 0.04 1.57 3.07 -1.42 1.00 115.11 118.75 1aab h GLN 20 Ca -0.15 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.37 1aab h GLN 20 Cb 1.43 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.98 1aab h GLN 20 CO 0.05 0.04 -1.01 1.15 0.09 0.00 0.00 178.83 179.15 1aab h THR 21 N 0.00 1.51 0.00 1.86 2.02 -1.50 -2.94 112.91 113.87 1aab h THR 21 Ca -0.00 -2.84 0.00 0.00 0.77 0.00 0.00 66.41 64.34 1aab h THR 21 Cb 0.13 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1aab h THR 21 CO 0.00 0.83 -0.49 0.28 0.37 0.00 0.00 175.52 176.51 1aab h SER 22 N 0.10 0.00 0.51 4.18 0.02 0.46 -3.29 113.55 115.53 1aab h SER 22 Ca -0.07 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1aab h SER 22 Cb 1.69 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.23 1aab h SER 22 CO 0.16 0.01 -0.25 -0.09 -1.14 0.00 0.00 176.83 175.52 1aab h ARG 23 N 0.00 -0.66 -0.31 3.45 2.43 0.93 0.26 114.38 120.48 1aab h ARG 23 Ca 0.00 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1aab h ARG 23 Cb 0.95 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1aab h ARG 23 CO 0.00 -0.41 0.27 0.93 -1.51 0.00 0.00 179.97 179.25 1aab h GLU 24 N -1.14 0.00 0.00 0.20 5.08 -1.67 0.35 114.58 117.40 1aab h GLU 24 Ca -0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1aab h GLU 24 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1aab h GLU 24 CO 0.12 0.00 -0.72 0.93 -1.00 0.00 0.00 179.01 178.34 1aab h GLU 25 N 0.00 0.00 0.02 2.33 4.39 -1.59 -3.31 114.58 116.42 1aab h GLU 25 Ca 0.15 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.61 1aab h GLU 25 Cb 0.68 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 1aab h GLU 25 CO -0.00 0.37 -1.24 1.25 -1.16 0.00 0.00 179.01 178.23 1aab h HIS 26 N 0.00 0.07 0.00 4.33 -0.00 0.32 -3.21 115.15 116.67 1aab h HIS 26 Ca -0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1aab h HIS 26 Cb 1.37 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 1aab h HIS 26 CO 0.00 1.05 0.00 1.63 -0.00 0.00 0.00 177.93 180.61 1aab n LYS 27 N -3.29 0.03 0.00 5.26 5.02 0.01 -1.29 118.16 123.89 1aab n LYS 27 Ca -0.06 0.34 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 1aab n LYS 27 Cb 0.98 -1.50 0.39 0.00 -0.02 0.00 0.00 35.03 34.88 1aab n LYS 27 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1aab n LYS 28 N -1.41 0.38 -2.68 1.97 5.02 -1.21 -4.44 118.16 115.78 1aab n LYS 28 Ca 0.02 -0.19 -0.04 0.00 -2.02 0.00 0.00 58.31 56.07 1aab n LYS 28 Cb 0.05 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.14 1.29 -2.88 1.97 2.85 -0.41 -5.02 118.16 114.82 1aab n LYS 29 Ca 0.09 -1.51 -0.13 0.00 -1.05 0.00 0.00 58.31 55.71 1aab n LYS 29 Cb 0.33 0.19 0.02 0.00 -0.65 0.00 0.00 35.03 34.93 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 -1.10 -2.28 0.20 5.58 8.25 -1.08 -4.97 115.22 119.82 1aab n HIS 30 Ca -0.11 -2.41 0.08 0.00 -0.26 0.00 0.00 57.72 55.02 1aab n HIS 30 Cb 0.87 0.98 0.30 0.00 1.12 0.00 0.00 29.99 33.25 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 3.72 0.00 0.20 -0.41 0.13 -1.89 -3.26 132.00 130.49 1aab h PRO 31 Ca -0.07 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.73 1aab h PRO 31 Cb 1.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.15 1aab h PRO 31 CO 0.34 0.26 -1.57 -0.44 -0.23 0.00 0.00 178.00 176.36 1aab h ASP 32 N 0.00 0.67 -0.96 1.44 3.32 -2.00 -3.33 116.42 115.56 1aab h ASP 32 Ca -0.00 -0.83 0.01 0.00 0.02 0.00 0.00 57.03 56.23 1aab h ASP 32 Cb 0.96 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.25 1aab h ASP 32 CO 0.03 1.67 0.63 0.00 -1.72 0.00 0.00 179.24 179.86 1aab h ALA 33 N 0.23 1.21 0.00 3.45 0.00 -1.97 -3.45 119.26 118.73 1aab h ALA 33 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1aab h ALA 33 Cb 2.11 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1aab h ALA 33 CO 0.22 0.60 0.00 0.43 0.00 0.00 0.00 179.25 180.50 1aab n SER 34 N -4.42 -0.36 -3.14 0.00 7.64 -1.23 -3.89 113.62 108.22 1aab n SER 34 Ca 0.11 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.85 1aab n SER 34 Cb 0.01 -2.50 0.01 0.00 -1.01 0.00 0.00 64.21 60.73 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 -1.93 -6.19 1.69 0.44 0.31 -1.26 -4.83 118.33 106.56 1aab n VAL 35 Ca 0.00 0.69 0.06 0.00 -0.01 0.00 0.00 64.34 65.08 1aab n VAL 35 Cb 0.03 -4.71 0.29 0.00 -0.91 0.00 0.00 33.84 28.54 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 0.42 0.59 -2.42 4.52 3.02 -1.25 -4.85 115.26 115.29 1aab n ASN 36 Ca -0.01 -1.74 -0.14 0.00 -0.03 0.00 0.00 54.58 52.66 1aab n ASN 36 Cb 0.46 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 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 -0.29 -1.30 -1.48 3.10 3.72 -1.26 -4.59 117.46 115.35 1aab n PHE 37 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1aab n PHE 37 Cb 0.13 -3.04 0.00 0.00 -0.94 0.00 0.00 39.48 35.63 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 -1.84 0.00 0.00 4.37 7.64 -1.26 -4.86 113.62 117.68 1aab n SER 38 Ca -0.17 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1aab n SER 38 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1aab n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1aab n GLU 39 N 0.00 4.85 -0.05 1.43 -0.58 -1.26 -4.81 120.64 120.22 1aab n GLU 39 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1aab n GLU 39 Cb 0.24 -0.52 -0.03 0.00 -0.57 0.00 0.00 31.44 30.56 1aab n GLU 39 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1aab h PHE 40 N 0.00 -0.02 -0.69 -0.32 3.57 -1.92 -3.24 116.94 114.33 1aab h PHE 40 Ca 0.00 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.69 1aab h PHE 40 Cb 0.01 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1aab h PHE 40 CO 0.00 0.19 0.49 0.77 -2.23 0.00 0.00 178.31 177.53 1aab h SER 41 N -1.00 0.08 -0.10 0.41 0.02 -1.91 0.92 113.55 111.97 1aab h SER 41 Ca -0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1aab h SER 41 Cb 0.22 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1aab h SER 41 CO 0.00 0.04 0.04 0.50 -1.14 0.00 0.00 176.83 176.27 1aab h LYS 42 N 0.08 0.20 0.06 3.45 3.64 -1.88 0.12 116.57 122.24 1aab h LYS 42 Ca 0.33 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1aab h LYS 42 Cb 1.21 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1aab h LYS 42 CO -0.03 0.18 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.09 1aab h LYS 43 N 0.20 -0.08 -0.63 1.90 1.63 0.80 -3.04 116.57 117.34 1aab h LYS 43 Ca 0.05 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1aab h LYS 43 Cb 0.08 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 1aab h LYS 43 CO -0.00 0.48 0.42 0.00 -3.45 0.00 0.00 179.45 176.90 1aab h SER 45 N 0.58 0.73 0.53 0.00 0.87 -0.82 0.48 113.55 115.91 1aab h SER 45 Ca 0.28 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1aab h SER 45 Cb 0.35 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1aab h SER 45 CO -0.09 0.51 0.00 1.21 -0.53 0.00 0.00 176.83 177.94 1aab n GLU 46 N -4.66 0.06 -0.00 2.24 0.00 -0.05 -1.59 120.64 116.65 1aab n GLU 46 Ca 0.06 0.32 0.08 0.00 0.00 0.00 0.00 57.16 57.63 1aab n GLU 46 Cb 0.06 -1.62 -0.10 0.00 0.00 0.00 0.00 31.44 29.78 1aab n GLU 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1aab n ARG 47 N -1.73 1.30 -0.07 5.31 0.63 0.11 -4.46 116.66 117.74 1aab n ARG 47 Ca 0.03 -0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.88 1aab n ARG 47 Cb 0.17 -1.31 -0.03 0.00 0.45 0.00 0.00 32.46 31.74 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 -1.42 0.00 0.21 -0.14 -0.00 0.13 -4.28 117.44 111.93 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 0.27 -0.44 0.34 0.00 -0.00 0.00 0.00 31.31 31.48 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 -0.86 0.00 0.12 5.87 1.57 -1.54 0.14 116.57 121.87 1aab h LYS 49 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 1aab h LYS 49 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1aab h LYS 49 CO -0.00 0.00 -1.64 0.00 -0.57 0.00 0.00 179.45 177.24 1aab h THR 50 N 0.00 1.03 -2.67 -0.16 1.03 -1.78 -3.47 112.91 106.89 1aab h THR 50 Ca 0.00 -2.69 -0.41 0.00 -0.01 0.00 0.00 66.41 63.30 1aab h THR 50 Cb 0.90 2.70 0.22 0.00 -1.07 0.00 0.00 68.15 70.90 1aab h THR 50 CO 0.00 0.81 -0.47 0.23 -0.01 0.00 0.00 175.52 176.08 1aab n MET 51 N -3.44 -2.61 -3.23 0.00 2.81 0.49 -5.00 117.12 106.15 1aab n MET 51 Ca -0.20 -0.75 -0.25 0.00 -1.81 0.00 0.00 57.70 54.70 1aab n MET 51 Cb 1.05 -1.89 -0.01 0.00 -0.71 0.00 0.00 33.22 31.66 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 -2.24 6.30 0.32 7.83 0.15 -1.26 -4.91 113.70 119.88 1aab s SER 52 Ca 0.61 0.57 0.19 0.00 0.70 0.00 0.00 55.95 58.02 1aab s SER 52 Cb -0.17 -2.09 1.05 0.00 -1.71 0.00 0.00 66.02 63.11 1aab s SER 52 CO 0.61 -0.34 1.57 0.00 1.20 0.00 0.00 173.24 176.28 1aab n ALA 53 N -1.79 0.94 0.32 5.45 0.00 -1.26 -1.69 120.51 122.48 1aab n ALA 53 Ca -0.03 0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 1aab n ALA 53 Cb 0.56 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 1aab n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1aab h LYS 54 N 0.00 -0.79 -0.20 0.00 1.57 -1.98 0.24 116.57 115.41 1aab h LYS 54 Ca 0.00 0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1aab h LYS 54 Cb 0.15 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1aab h LYS 54 CO 0.00 -0.47 -0.13 0.93 -0.57 0.00 0.00 179.45 179.20 1aab h GLU 55 N -1.02 0.45 0.00 3.15 5.08 -1.73 -1.21 114.58 119.30 1aab h GLU 55 Ca -0.08 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1aab h GLU 55 Cb 0.68 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1aab h GLU 55 CO 0.14 0.76 0.00 1.63 -1.00 0.00 0.00 179.01 180.54 1aab n LYS 56 N -4.52 0.32 -0.05 2.33 5.02 -0.68 -2.74 118.16 117.84 1aab n LYS 56 Ca -0.05 0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 1aab n LYS 56 Cb 0.35 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.80 -0.02 2.00 0.72 0.00 0.76 -2.25 103.07 106.07 1aab h GLY 57 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1aab h GLY 57 CO 0.00 -0.01 0.00 0.58 0.00 0.00 0.00 176.54 177.11 1aab n LYS 58 N -4.75 0.08 0.05 4.80 -0.00 -1.11 -0.50 118.16 116.73 1aab n LYS 58 Ca -0.03 0.44 -0.03 0.00 -0.00 0.00 0.00 58.31 58.69 1aab n LYS 58 Cb 0.13 -1.70 -0.08 0.00 -0.00 0.00 0.00 35.03 33.38 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 -1.59 -2.84 116.94 118.13 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 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1aab h PHE 59 CO 0.00 0.77 -0.25 0.93 -0.60 0.00 0.00 178.31 179.16 1aab h GLU 60 N 0.00 0.00 0.12 1.51 4.39 -0.16 -2.37 114.58 118.06 1aab h GLU 60 Ca -0.12 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.31 1aab h GLU 60 Cb 1.70 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.35 1aab h GLU 60 CO 0.08 0.25 -1.20 0.22 -1.16 0.00 0.00 179.01 177.19 1aab h ASP 61 N 0.00 0.47 -0.15 1.42 1.82 -1.27 -2.69 116.42 116.03 1aab h ASP 61 Ca -0.00 -0.48 -0.07 0.00 -0.39 0.00 0.00 57.03 56.09 1aab h ASP 61 Cb 0.98 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.84 1aab h ASP 61 CO 0.03 1.36 -0.17 0.24 -1.61 0.00 0.00 179.24 179.09 1aab h MET 62 N 0.11 0.37 0.00 0.28 2.86 -1.35 0.51 114.93 117.71 1aab h MET 62 Ca -0.13 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 1aab h MET 62 Cb 1.91 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.58 1aab h MET 62 CO 0.20 0.77 -0.04 0.00 1.06 0.00 0.00 176.91 178.90 1aab h ALA 63 N 0.60 1.71 0.04 6.32 0.00 -1.51 0.15 119.26 126.57 1aab h ALA 63 Ca 0.02 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1aab h ALA 63 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1aab h ALA 63 CO 0.04 0.05 -1.02 0.87 0.00 0.00 0.00 179.25 179.19 1aab h LYS 64 N 0.00 0.35 -0.39 0.00 1.57 -1.11 -2.65 116.57 114.35 1aab h LYS 64 Ca -0.00 -0.42 -0.10 0.00 -1.87 0.00 0.00 60.65 58.26 1aab h LYS 64 Cb 0.08 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1aab h LYS 64 CO 0.01 1.12 -0.14 0.00 -0.57 0.00 0.00 179.45 179.87 1aab h ALA 65 N 0.72 0.54 -0.32 3.86 0.00 0.53 -2.36 119.26 122.23 1aab h ALA 65 Ca -0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1aab h ALA 65 Cb 1.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1aab h ALA 65 CO 0.17 0.44 0.14 0.22 0.00 0.00 0.00 179.25 180.23 1aab h ASP 66 N 0.58 0.39 -0.86 0.00 1.82 -1.05 -1.29 116.42 116.01 1aab h ASP 66 Ca 0.09 -0.03 0.11 0.00 -0.39 0.00 0.00 57.03 56.82 1aab h ASP 66 Cb 0.68 -0.10 -0.08 0.00 0.68 0.00 0.00 39.33 40.51 1aab h ASP 66 CO 0.05 0.35 0.49 0.50 -1.61 0.00 0.00 179.24 179.01 1aab h LYS 67 N 0.44 0.76 0.00 0.28 3.64 -1.04 0.20 116.57 120.85 1aab h LYS 67 Ca 0.11 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1aab h LYS 67 Cb 0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1aab h LYS 67 CO -0.01 0.50 -0.70 0.00 -2.27 0.00 0.00 179.45 176.96 1aab h ALA 68 N 1.49 0.81 0.00 5.00 0.00 -1.19 -2.99 119.26 122.39 1aab h ALA 68 Ca 0.43 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1aab h ALA 68 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1aab h ALA 68 CO -0.28 0.88 -0.43 0.00 0.00 0.00 0.00 179.25 179.42 1aab h ARG 69 N 0.00 0.00 -0.04 0.00 2.47 -0.51 0.44 114.38 116.74 1aab h ARG 69 Ca -0.01 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.56 1aab h ARG 69 Cb 1.27 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.60 1aab h ARG 69 CO 0.09 0.43 -0.55 -0.92 0.56 0.00 0.00 179.97 179.58 1aab h TYR 70 N 0.00 0.64 0.01 3.04 5.03 -0.93 -3.11 116.97 121.65 1aab h TYR 70 Ca -0.00 -0.32 -0.01 0.00 2.58 0.00 0.00 58.73 60.98 1aab h TYR 70 Cb 0.85 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.05 1aab h TYR 70 CO 0.00 1.11 -0.06 0.93 -1.32 0.00 0.00 178.16 178.83 1aab h GLU 71 N -0.02 0.02 -0.88 1.82 5.08 -1.48 -2.54 114.58 116.59 1aab h GLU 71 Ca -0.06 -0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.46 1aab h GLU 71 Cb 1.23 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1aab h GLU 71 CO 0.11 1.00 0.58 -0.09 -1.00 0.00 0.00 179.01 179.62 1aab h ARG 72 N -0.94 0.39 0.20 2.33 2.43 -1.07 -0.10 114.38 117.62 1aab h ARG 72 Ca -0.01 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.83 1aab h ARG 72 Cb 1.03 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1aab h ARG 72 CO 0.01 0.26 -1.40 0.93 -1.51 0.00 0.00 179.97 178.26 1aab h GLU 73 N 0.40 0.43 -0.29 0.20 5.08 -1.64 -3.33 114.58 115.42 1aab h GLU 73 Ca 0.45 -0.73 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1aab h GLU 73 Cb 1.13 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1aab h GLU 73 CO -0.16 1.35 0.19 1.98 -1.00 0.00 0.00 179.01 181.36 1aab h MET 74 N -0.03 0.38 0.00 2.33 4.05 -0.87 0.50 114.93 121.29 1aab h MET 74 Ca -0.26 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1aab h MET 74 Cb 2.00 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.71 1aab h MET 74 CO 0.20 0.25 0.00 1.17 0.23 0.00 0.00 176.91 178.76 1aab n LYS 75 N -4.89 0.22 -0.46 0.39 3.00 -0.14 -1.88 118.16 114.40 1aab n LYS 75 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1aab n LYS 75 Cb 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 33.66 1aab n LYS 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1aab n THR 76 N -0.90 0.00 0.00 3.15 -2.24 -0.14 -5.04 114.28 109.12 1aab n THR 76 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1aab n THR 76 Cb 0.02 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.09 4.78 9.36 0.16 -4.99 117.16 123.37 1aab n TYR 77 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1aab n TYR 77 Cb 0.63 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.34 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 -4.47 -1.70 2.97 -0.00 -1.26 -4.90 119.36 109.99 1aab n ILE 78 Ca 0.00 0.80 -0.35 0.00 -0.00 0.00 0.00 62.75 63.20 1aab n ILE 78 Cb 0.00 -3.97 0.06 0.00 -0.00 0.00 0.00 39.64 35.73 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 -1.22 2.57 0.00 0.38 0.05 -1.26 -5.01 135.00 130.50 1aab s PRO 79 Ca 0.02 1.71 0.00 0.00 0.05 0.00 0.00 61.00 62.78 1aab s PRO 79 Cb -0.00 -1.89 0.00 0.00 0.05 0.00 0.00 34.50 32.66 1aab s PRO 79 CO 0.22 -1.49 0.00 -0.35 0.05 0.00 0.00 177.00 175.43 1aab n PRO 80 N -2.26 -0.66 -2.80 0.56 -0.04 -1.26 -5.04 135.00 123.50 1aab n PRO 80 Ca 0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1aab n PRO 80 Cb 0.50 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.03 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 -1.20 1.03 -0.07 0.54 5.02 -1.26 -4.91 118.16 117.32 1aab n LYS 81 Ca 0.00 -2.20 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 1aab n LYS 81 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.24 0.59 0.00 0.72 0.00 -1.26 -5.38 105.19 100.09 1aab n GLY 82 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11