#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 0.19 0.00 1.61 -0.00 -1.26 -5.12 118.16 113.58 1aab n LYS 2 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 58.31 57.91 1aab n LYS 2 Cb 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 1aab n LYS 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aab n GLY 3 N -0.14 -1.83 2.04 2.58 0.00 -1.26 -5.09 105.19 101.50 1aab n GLY 3 Ca -0.01 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 -3.36 0.17 1.61 9.92 -1.26 -4.77 116.55 118.86 1aab n ASP 4 Ca 0.00 0.75 0.17 0.00 -0.53 0.00 0.00 54.79 55.18 1aab n ASP 4 Cb 0.00 3.22 0.78 0.00 -0.64 0.00 0.00 41.12 44.48 1aab n ASP 4 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1aab h PRO 5 N 0.00 0.00 -2.28 -0.24 0.13 -2.01 -2.95 132.00 124.65 1aab h PRO 5 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1aab h PRO 5 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1aab h PRO 5 CO 0.00 0.00 -0.96 1.63 -0.23 0.00 0.00 178.00 178.44 1aab n LYS 6 N -3.97 0.73 -0.31 0.86 4.76 -1.26 -4.98 118.16 113.98 1aab n LYS 6 Ca 0.03 -3.44 -0.01 0.00 -2.87 0.00 0.00 58.31 52.02 1aab n LYS 6 Cb 0.36 -1.61 0.16 0.00 -1.84 0.00 0.00 35.03 32.11 1aab n LYS 6 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1aab h LYS 7 N 4.88 1.19 0.00 1.97 1.63 -1.82 -3.44 116.57 120.99 1aab h LYS 7 Ca 0.18 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.87 1aab h LYS 7 Cb 0.86 -0.27 0.02 0.00 -0.60 0.00 0.00 32.23 32.24 1aab h LYS 7 CO 0.47 0.79 0.00 -2.30 -3.45 0.00 0.00 179.45 174.97 1aab n PRO 8 N -4.40 -1.47 0.00 1.90 -0.02 -1.26 -4.90 135.00 124.86 1aab n PRO 8 Ca 0.10 -0.16 0.15 0.00 -2.02 0.00 0.00 63.50 61.57 1aab n PRO 8 Cb 0.02 -0.16 0.70 0.00 -0.02 0.00 0.00 33.50 34.04 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 -1.95 0.52 -1.91 -0.52 0.63 -1.26 -4.98 116.66 107.18 1aab n ARG 9 Ca 0.01 -0.08 -0.02 0.00 -0.92 0.00 0.00 57.85 56.84 1aab n ARG 9 Cb 0.06 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.45 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 1.28 -3.87 3.68 5.14 0.00 -1.26 -4.82 105.19 105.34 1aab n GLY 10 Ca 0.14 0.46 -0.53 0.00 0.00 0.00 0.00 46.02 46.09 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 0.67 1.54 -1.97 1.61 -0.00 -1.26 -4.92 118.16 113.82 1aab n LYS 11 Ca -0.16 0.56 -0.33 0.00 -0.00 0.00 0.00 58.31 58.38 1aab n LYS 11 Cb 0.25 -2.30 0.02 0.00 -0.00 0.00 0.00 35.03 33.01 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 3.05 3.19 0.76 -1.58 -1.94 -1.26 -4.99 119.30 116.54 1aab s MET 12 Ca 0.93 1.25 -0.12 0.00 -1.71 0.00 0.00 55.69 56.04 1aab s MET 12 Cb -0.91 -2.01 0.05 0.00 2.01 0.00 0.00 34.83 33.97 1aab s MET 12 CO 0.57 -0.92 1.10 -1.12 -0.01 0.00 0.00 175.02 174.64 1aab s SER 13 N -2.75 4.90 0.50 3.03 0.01 -1.26 -4.69 113.70 113.45 1aab s SER 13 Ca 0.64 1.19 0.18 0.00 1.31 0.00 0.00 55.95 59.27 1aab s SER 13 Cb -0.17 -1.93 1.26 0.00 0.21 0.00 0.00 66.02 65.38 1aab s SER 13 CO 0.38 -1.70 2.11 0.77 0.41 0.00 0.00 173.24 175.21 1aab h SER 14 N -0.90 0.00 0.01 2.44 4.64 -1.92 -0.91 113.55 116.91 1aab h SER 14 Ca -0.46 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1aab h SER 14 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1aab h SER 14 CO 0.62 0.07 -0.01 0.22 -0.87 0.00 0.00 176.83 176.86 1aab h TYR 15 N 0.00 -0.02 -0.32 4.77 3.20 -1.91 -2.96 116.97 119.73 1aab h TYR 15 Ca -0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1aab h TYR 15 Cb 0.12 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1aab h TYR 15 CO 0.00 0.73 0.33 0.00 -1.64 0.00 0.00 178.16 177.59 1aab h ALA 16 N 0.10 2.03 -0.10 1.82 0.00 -1.81 0.50 119.26 121.80 1aab h ALA 16 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1aab h ALA 16 Cb 0.76 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1aab h ALA 16 CO 0.00 -0.50 -0.62 0.74 0.00 0.00 0.00 179.25 178.88 1aab h PHE 17 N 0.00 0.47 0.00 0.00 0.04 -1.10 -1.56 116.94 114.80 1aab h PHE 17 Ca 0.15 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1aab h PHE 17 Cb 0.82 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1aab h PHE 17 CO 0.00 0.89 0.00 0.35 -0.60 0.00 0.00 178.31 178.95 1aab h PHE 18 N 0.27 0.00 0.10 -0.55 3.04 0.09 -2.92 116.94 116.97 1aab h PHE 18 Ca -0.01 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 1aab h PHE 18 Cb 1.15 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.67 1aab h PHE 18 CO 0.03 0.00 -0.56 0.28 -2.02 0.00 0.00 178.31 176.04 1aab h VAL 19 N 0.00 1.60 0.00 1.41 2.07 -0.56 -0.61 116.25 120.15 1aab h VAL 19 Ca 0.00 -2.48 -0.00 0.00 0.82 0.00 0.00 66.70 65.04 1aab h VAL 19 Cb 0.81 3.26 -0.00 0.00 -1.52 0.00 0.00 31.29 33.84 1aab h VAL 19 CO 0.00 0.68 -0.00 0.06 0.02 0.00 0.00 177.57 178.33 1aab h GLN 20 N -0.57 0.00 0.06 1.57 -0.00 -1.31 0.52 115.11 115.37 1aab h GLN 20 Ca -0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.31 1aab h GLN 20 Cb 1.44 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.90 1aab h GLN 20 CO 0.10 0.00 -1.15 1.15 -0.00 0.00 0.00 178.83 178.93 1aab h THR 21 N 0.00 1.57 0.00 1.86 2.02 -1.43 -2.98 112.91 113.95 1aab h THR 21 Ca -0.00 -3.22 -0.14 0.00 0.77 0.00 0.00 66.41 63.81 1aab h THR 21 Cb 0.01 2.87 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1aab h THR 21 CO 0.00 0.92 -0.69 0.28 0.37 0.00 0.00 175.52 176.40 1aab h SER 22 N 0.03 0.00 0.77 4.18 0.02 0.10 -3.16 113.55 115.50 1aab h SER 22 Ca -0.08 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1aab h SER 22 Cb 1.87 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.42 1aab h SER 22 CO 0.16 0.69 -0.37 -0.09 -1.14 0.00 0.00 176.83 176.08 1aab h ARG 23 N 0.00 -1.00 -0.65 3.45 2.43 -0.12 0.25 114.38 118.74 1aab h ARG 23 Ca -0.01 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.39 1aab h ARG 23 Cb 1.41 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 31.15 1aab h ARG 23 CO 0.09 -0.65 0.45 0.93 -1.51 0.00 0.00 179.97 179.28 1aab h GLU 24 N -1.16 0.16 0.00 0.20 4.39 -1.61 0.48 114.58 117.04 1aab h GLU 24 Ca -0.11 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1aab h GLU 24 Cb 0.81 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1aab h GLU 24 CO 0.17 0.11 -0.50 0.93 -1.16 0.00 0.00 179.01 178.56 1aab h GLU 25 N 0.17 0.00 0.00 2.33 5.08 -1.43 -3.21 114.58 117.51 1aab h GLU 25 Ca 0.31 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1aab h GLU 25 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1aab h GLU 25 CO -0.05 0.50 -0.69 1.25 -1.00 0.00 0.00 179.01 179.02 1aab h HIS 26 N 0.00 0.00 0.00 4.33 -0.00 0.33 -3.25 115.15 116.56 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 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.77 1aab h HIS 26 CO 0.00 0.14 0.00 1.17 -0.00 0.00 0.00 177.93 179.24 1aab n LYS 27 N -2.91 0.06 0.00 5.26 4.81 0.58 -2.05 118.16 123.91 1aab n LYS 27 Ca 0.00 0.28 0.14 0.00 -0.87 0.00 0.00 58.31 57.86 1aab n LYS 27 Cb 0.61 -1.50 0.62 0.00 0.02 0.00 0.00 35.03 34.78 1aab n LYS 27 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1aab n LYS 28 N -1.41 0.09 -2.62 1.64 4.01 -1.23 -4.30 118.16 114.34 1aab n LYS 28 Ca 0.03 0.02 -0.05 0.00 -0.51 0.00 0.00 58.31 57.80 1aab n LYS 28 Cb 0.10 -1.50 0.09 0.00 -0.51 0.00 0.00 35.03 33.21 1aab n LYS 28 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1aab n LYS 29 N -1.45 1.01 -2.96 1.97 2.85 -0.87 -5.02 118.16 113.68 1aab n LYS 29 Ca 0.08 -1.40 -0.15 0.00 -1.05 0.00 0.00 58.31 55.80 1aab n LYS 29 Cb 0.30 0.08 0.01 0.00 -0.65 0.00 0.00 35.03 34.77 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 -0.78 -1.59 0.09 5.58 8.25 -1.17 -4.96 115.22 120.65 1aab n HIS 30 Ca -0.10 -2.83 -0.05 0.00 -0.26 0.00 0.00 57.72 54.48 1aab n HIS 30 Cb 0.81 0.61 0.01 0.00 1.12 0.00 0.00 29.99 32.54 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 3.45 0.03 0.10 -0.41 0.13 -1.89 -3.26 132.00 130.16 1aab h PRO 31 Ca -0.02 -0.04 -0.25 0.00 -0.87 0.00 0.00 66.00 64.82 1aab h PRO 31 Cb 1.00 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.17 1aab h PRO 31 CO 0.35 0.85 -1.04 0.22 -0.23 0.00 0.00 178.00 178.15 1aab h ASP 32 N 0.02 0.74 -0.91 1.44 3.58 -2.01 -3.28 116.42 115.99 1aab h ASP 32 Ca -0.02 -0.84 0.08 0.00 0.42 0.00 0.00 57.03 56.68 1aab h ASP 32 Cb 1.47 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 42.23 1aab h ASP 32 CO 0.11 1.50 0.59 0.00 -2.88 0.00 0.00 179.24 178.56 1aab h ALA 33 N 0.25 1.57 0.00 -0.78 0.00 -1.97 -3.44 119.26 114.89 1aab h ALA 33 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1aab h ALA 33 Cb 1.75 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1aab h ALA 33 CO 0.20 0.27 0.00 0.43 0.00 0.00 0.00 179.25 180.15 1aab n SER 34 N -4.52 -0.09 -3.16 0.00 7.64 -1.23 -3.91 113.62 108.36 1aab n SER 34 Ca 0.15 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.88 1aab n SER 34 Cb 0.26 -2.30 0.02 0.00 -1.01 0.00 0.00 64.21 61.17 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 -1.74 -6.06 1.97 0.44 0.31 -1.26 -4.80 118.33 107.19 1aab n VAL 35 Ca 0.00 0.67 0.04 0.00 -0.01 0.00 0.00 64.34 65.03 1aab n VAL 35 Cb 0.01 -4.65 0.21 0.00 -0.91 0.00 0.00 33.84 28.50 1aab n VAL 35 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1aab n ASN 36 N 0.41 0.00 -3.92 4.52 0.23 -1.25 -4.84 115.26 110.41 1aab n ASN 36 Ca -0.01 -1.74 -0.31 0.00 -0.53 0.00 0.00 54.58 51.99 1aab n ASN 36 Cb 0.47 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.19 1aab n ASN 36 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1aab n PHE 37 N -0.61 -2.20 -1.83 -2.53 -0.00 -1.26 -4.69 117.46 104.34 1aab n PHE 37 Ca 0.05 0.86 0.00 0.00 -0.00 0.00 0.00 57.45 58.37 1aab n PHE 37 Cb 0.02 -3.78 0.00 0.00 -0.00 0.00 0.00 39.48 35.72 1aab n PHE 37 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1aab n SER 38 N -2.77 0.00 0.00 -2.13 2.88 -1.26 -4.87 113.62 105.47 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 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 4.17 -0.07 -1.46 -0.58 -1.26 -4.88 120.64 116.56 1aab n GLU 39 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1aab n GLU 39 Cb 0.41 -0.36 -0.08 0.00 -0.57 0.00 0.00 31.44 30.84 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 0.00 -0.80 -0.32 3.57 -1.93 -3.32 116.94 114.13 1aab h PHE 40 Ca 0.00 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 1aab h PHE 40 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1aab h PHE 40 CO 0.00 0.72 0.58 0.66 -2.23 0.00 0.00 178.31 178.03 1aab h SER 41 N -1.00 0.01 -0.44 0.41 4.64 -1.91 0.69 113.55 115.94 1aab h SER 41 Ca -0.06 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1aab h SER 41 Cb 0.73 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1aab h SER 41 CO -0.03 0.00 0.30 0.11 -0.87 0.00 0.00 176.83 176.34 1aab h LYS 42 N 0.01 0.38 0.06 4.77 6.56 -1.90 0.12 116.57 126.57 1aab h LYS 42 Ca 0.38 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.95 1aab h LYS 42 Cb 1.52 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 33.10 1aab h LYS 42 CO -0.01 0.25 -0.03 -0.22 -2.06 0.00 0.00 179.45 177.39 1aab h LYS 43 N 0.39 -0.08 -0.69 3.15 1.63 0.24 -3.08 116.57 118.13 1aab h LYS 43 Ca 0.19 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.06 1aab h LYS 43 Cb 0.26 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1aab h LYS 43 CO -0.05 0.52 0.45 0.00 -3.45 0.00 0.00 179.45 176.92 1aab h SER 45 N 0.70 -0.16 0.16 0.00 0.87 -0.82 0.40 113.55 114.70 1aab h SER 45 Ca 0.30 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1aab h SER 45 Cb 0.26 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1aab h SER 45 CO -0.09 -0.06 0.00 1.21 -0.53 0.00 0.00 176.83 177.35 1aab n GLU 46 N -5.18 0.11 -0.00 2.24 2.13 -0.62 -0.73 120.64 118.59 1aab n GLU 46 Ca -0.04 0.54 0.09 0.00 0.66 0.00 0.00 57.16 58.42 1aab n GLU 46 Cb 0.11 -1.81 -0.11 0.00 0.27 0.00 0.00 31.44 29.90 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 -2.03 0.64 -0.08 5.31 0.63 0.10 -4.43 116.66 116.81 1aab n ARG 47 Ca -0.00 -0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 1aab n ARG 47 Cb 0.07 -1.41 -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 -1.47 0.00 0.21 -0.14 -0.00 0.97 -4.29 117.44 112.72 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 0.31 -0.48 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 0.18 5.87 1.79 -1.45 0.46 116.57 122.56 1aab h LYS 49 Ca -0.07 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.07 1aab h LYS 49 Cb 0.94 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.60 1aab h LYS 49 CO -0.04 0.00 -1.65 0.00 -1.08 0.00 0.00 179.45 176.68 1aab h THR 50 N 0.00 1.00 -2.64 -0.16 1.03 -1.78 -3.47 112.91 106.89 1aab h THR 50 Ca 0.00 -2.51 -0.42 0.00 -0.01 0.00 0.00 66.41 63.47 1aab h THR 50 Cb 0.92 2.80 0.22 0.00 -1.07 0.00 0.00 68.15 71.02 1aab h THR 50 CO 0.00 0.83 -0.54 0.23 -0.01 0.00 0.00 175.52 176.03 1aab n MET 51 N -3.67 -2.42 -3.10 0.00 2.81 0.15 -5.00 117.12 105.89 1aab n MET 51 Ca -0.24 -0.69 -0.24 0.00 -1.81 0.00 0.00 57.70 54.72 1aab n MET 51 Cb 1.05 -1.88 -0.00 0.00 -0.71 0.00 0.00 33.22 31.68 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 -2.17 6.16 0.66 7.83 0.15 -1.26 -4.92 113.70 120.14 1aab s SER 52 Ca 0.61 0.52 0.38 0.00 0.70 0.00 0.00 55.95 58.15 1aab s SER 52 Cb -0.17 -1.95 2.09 0.00 -1.71 0.00 0.00 66.02 64.29 1aab s SER 52 CO 0.63 -0.47 2.21 0.00 1.20 0.00 0.00 173.24 176.80 1aab h ALA 53 N 0.53 1.21 0.63 5.45 0.00 -1.94 -1.49 119.26 123.65 1aab h ALA 53 Ca -0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1aab h ALA 53 Cb 1.22 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1aab h ALA 53 CO 0.60 -0.13 -0.30 0.87 0.00 0.00 0.00 179.25 180.29 1aab h LYS 54 N 0.00 -0.81 -0.13 0.00 1.57 -1.97 0.87 116.57 116.10 1aab h LYS 54 Ca 0.01 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1aab h LYS 54 Cb 0.25 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1aab h LYS 54 CO -0.00 -0.52 0.02 0.93 -0.57 0.00 0.00 179.45 179.31 1aab h GLU 55 N -0.89 0.22 0.00 3.15 4.39 -1.72 0.31 114.58 120.05 1aab h GLU 55 Ca -0.09 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1aab h GLU 55 Cb 0.66 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1aab h GLU 55 CO 0.14 0.41 0.00 1.63 -1.16 0.00 0.00 179.01 180.04 1aab n LYS 56 N -4.81 0.27 -0.04 2.33 5.02 -0.64 -2.30 118.16 117.98 1aab n LYS 56 Ca -0.05 0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 56.16 1aab n LYS 56 Cb 0.18 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 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 1.76 0.10 2.00 0.72 0.00 0.30 -2.07 103.07 105.88 1aab h GLY 57 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1aab h GLY 57 CO 0.00 0.18 -0.07 0.07 0.00 0.00 0.00 176.54 176.72 1aab h LYS 58 N -0.72 0.00 0.00 4.80 2.10 -1.37 -0.87 116.57 120.51 1aab h LYS 58 Ca -0.02 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.52 1aab h LYS 58 Cb 1.01 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 1aab h LYS 58 CO 0.03 0.07 -0.51 0.74 -2.00 0.00 0.00 179.45 177.78 1aab h PHE 59 N 0.00 0.00 0.00 0.07 0.04 -1.57 -2.65 116.94 112.83 1aab h PHE 59 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1aab h PHE 59 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1aab h PHE 59 CO 0.00 0.51 -0.47 0.93 -0.60 0.00 0.00 178.31 178.67 1aab h GLU 60 N 0.00 0.00 -0.12 1.51 4.39 -0.44 -1.95 114.58 117.98 1aab h GLU 60 Ca -0.01 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1aab h GLU 60 Cb 1.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1aab h GLU 60 CO 0.07 0.47 -0.67 0.22 -1.16 0.00 0.00 179.01 177.94 1aab h ASP 61 N 0.00 0.58 -0.01 1.42 1.82 -1.04 -0.52 116.42 118.67 1aab h ASP 61 Ca -0.00 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.28 1aab h ASP 61 Cb 1.11 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1aab h ASP 61 CO 0.06 1.09 -0.02 0.24 -1.61 0.00 0.00 179.24 179.00 1aab h MET 62 N 0.36 0.03 -0.04 0.28 2.86 -1.28 -0.31 114.93 116.82 1aab h MET 62 Ca -0.02 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1aab h MET 62 Cb 1.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 1aab h MET 62 CO 0.12 0.60 0.03 0.00 1.06 0.00 0.00 176.91 178.72 1aab h ALA 63 N 0.43 1.98 0.00 6.32 0.00 -1.37 0.23 119.26 126.85 1aab h ALA 63 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1aab h ALA 63 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1aab h ALA 63 CO 0.00 -0.06 -0.67 -0.22 0.00 0.00 0.00 179.25 178.31 1aab h LYS 64 N 0.00 0.00 -0.12 0.00 3.64 -0.85 -1.90 116.57 117.34 1aab h LYS 64 Ca 0.02 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1aab h LYS 64 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1aab h LYS 64 CO -0.00 0.67 -0.45 0.00 -2.27 0.00 0.00 179.45 177.40 1aab h ALA 65 N 1.33 0.22 -0.28 5.00 0.00 0.12 -2.91 119.26 122.74 1aab h ALA 65 Ca -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1aab h ALA 65 Cb 1.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1aab h ALA 65 CO 0.09 0.36 0.04 0.22 0.00 0.00 0.00 179.25 179.96 1aab h ASP 66 N 0.13 0.37 -0.98 0.00 1.82 -0.96 -1.33 116.42 115.47 1aab h ASP 66 Ca -0.02 -0.05 0.10 0.00 -0.39 0.00 0.00 57.03 56.67 1aab h ASP 66 Cb 1.08 -0.10 -0.07 0.00 0.68 0.00 0.00 39.33 40.92 1aab h ASP 66 CO 0.09 0.40 0.63 0.50 -1.61 0.00 0.00 179.24 179.25 1aab h LYS 67 N 0.40 0.99 -0.03 0.28 3.64 -1.14 0.90 116.57 121.61 1aab h LYS 67 Ca 0.09 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1aab h LYS 67 Cb 0.20 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1aab h LYS 67 CO 0.00 0.66 -0.68 0.00 -2.27 0.00 0.00 179.45 177.16 1aab h ALA 68 N 1.52 0.80 -0.05 5.00 0.00 -1.17 -2.96 119.26 122.39 1aab h ALA 68 Ca 0.46 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1aab h ALA 68 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1aab h ALA 68 CO -0.22 0.80 -0.51 0.00 0.00 0.00 0.00 179.25 179.32 1aab h ARG 69 N 0.11 0.13 -0.56 0.00 2.47 -0.64 -1.45 114.38 114.44 1aab h ARG 69 Ca -0.01 -0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.52 1aab h ARG 69 Cb 1.21 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.51 1aab h ARG 69 CO 0.10 0.61 -0.09 -0.92 0.56 0.00 0.00 179.97 180.23 1aab h TYR 70 N 0.10 1.17 -0.09 3.04 5.03 -0.77 -2.53 116.97 122.93 1aab h TYR 70 Ca 0.00 -0.24 -0.23 0.00 2.58 0.00 0.00 58.73 60.85 1aab h TYR 70 Cb 0.94 -0.29 0.01 0.00 1.55 0.00 0.00 36.73 38.94 1aab h TYR 70 CO 0.01 1.07 -0.86 0.93 -1.32 0.00 0.00 178.16 177.99 1aab h GLU 71 N 0.93 0.68 0.00 1.82 4.39 -1.37 -2.78 114.58 118.25 1aab h GLU 71 Ca 0.15 -0.61 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1aab h GLU 71 Cb 0.66 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1aab h GLU 71 CO 0.05 1.22 -0.02 -0.09 -1.16 0.00 0.00 179.01 179.01 1aab h ARG 72 N 0.43 0.00 0.09 2.33 2.43 -1.16 -2.40 114.38 116.11 1aab h ARG 72 Ca -0.07 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.78 1aab h ARG 72 Cb 1.49 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.02 1aab h ARG 72 CO 0.17 0.02 -1.69 0.93 -1.51 0.00 0.00 179.97 177.88 1aab h GLU 73 N 0.00 0.20 0.00 0.20 5.08 -1.31 -3.31 114.58 115.43 1aab h GLU 73 Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1aab h GLU 73 Cb 0.14 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1aab h GLU 73 CO 0.00 1.00 0.15 -1.33 -1.00 0.00 0.00 179.01 177.84 1aab n MET 74 N -3.37 0.00 -0.31 2.33 2.81 -0.90 -0.92 117.12 116.76 1aab n MET 74 Ca -0.20 0.33 0.01 0.00 -1.81 0.00 0.00 57.70 56.02 1aab n MET 74 Cb 1.05 -1.65 0.12 0.00 -0.71 0.00 0.00 33.22 32.02 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 -1.32 2.15 0.00 0.03 5.02 -1.25 -3.75 118.16 119.03 1aab n LYS 75 Ca 0.00 -1.03 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 1aab n LYS 75 Cb 0.15 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 1aab n LYS 75 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1aab n THR 76 N 0.17 0.00 0.00 -0.18 5.66 -0.09 -5.06 114.28 114.78 1aab n THR 76 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1aab n THR 76 Cb 0.61 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 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 -2.99 1.09 9.36 -1.24 -4.98 117.16 118.40 1aab n TYR 77 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 1aab n TYR 77 Cb 0.18 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.88 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 -3.85 -1.01 2.97 5.41 -1.26 -4.92 119.36 116.69 1aab n ILE 78 Ca 0.00 0.68 -0.31 0.00 1.00 0.00 0.00 62.75 64.11 1aab n ILE 78 Cb 0.00 -3.51 0.13 0.00 -0.71 0.00 0.00 39.64 35.54 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 -0.31 1.67 0.00 0.38 0.05 -1.26 -5.03 135.00 130.50 1aab s PRO 79 Ca -0.06 1.39 0.00 0.00 0.05 0.00 0.00 61.00 62.38 1aab s PRO 79 Cb 0.00 -1.81 0.00 0.00 0.05 0.00 0.00 34.50 32.74 1aab s PRO 79 CO 0.18 -2.12 0.00 -0.35 0.05 0.00 0.00 177.00 174.76 1aab n PRO 80 N -3.80 0.62 -2.23 0.56 -0.04 -1.26 -4.80 135.00 124.04 1aab n PRO 80 Ca 0.11 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.24 1aab n PRO 80 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.61 2.95 0.32 0.54 3.01 -1.26 -4.75 119.74 119.94 1aab s LYS 81 Ca 0.00 -0.98 0.13 0.00 -1.01 0.00 0.00 55.97 54.11 1aab s LYS 81 Cb 0.00 -5.25 0.70 0.00 -1.01 0.00 0.00 37.83 32.27 1aab s LYS 81 CO 0.00 -3.18 1.28 0.41 0.51 0.00 0.00 175.35 174.37 1aab n GLY 82 N 6.31 -0.61 0.00 -3.33 0.00 -1.26 -5.37 105.19 100.93 1aab n GLY 82 Ca 0.42 0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.70 1aab n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11